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13007-85-7

Basic Information
CAS No.: 13007-85-7
Name: D-glycero-D-gulo-Heptonicacid, sodium salt (1:1)
Molecular Structure:
Molecular Structure of 13007-85-7 (D-glycero-D-gulo-Heptonicacid, sodium salt (1:1))
Formula: C7H14O8Na
Molecular Weight: 248.165
Synonyms: D-glycero-D-gulo-Heptonicacid, monosodium salt (8CI,9CI);Gluceptate sodium;Seqlene 190;SodiumD-glycero-D-guloheptanoate;Sodium a-glucoheptonate;
EINECS: 235-849-8
Density: N/A
Melting Point: N/A
Boiling Point: 727.8 °C at 760 mmHg
Flash Point: 407.9 °C
Solubility: N/A
Appearance: white to yellow crystal powder
Hazard Symbols: N/A
Risk Codes: N/A
Safety:
Transport Information: N/A
PSA: 161.51000
LogP: -5.46690
Synthetic route
67-56-1

methanol

13007-85-7

sodium α-d-glucoheptonatehydrate

77-76-9

2,2-dimethoxy-propane

1595285-44-1

methyl 2,3:4,5:6,7-tri-O-isopropylidene-D-glycero-D-gulo-heptonate

Conditions
ConditionsYield
With hydrogenchloride at 0℃; for 1h; Temperature; Reflux; Large scale;85%
13007-85-7

sodium α-d-glucoheptonatehydrate

77-76-9

2,2-dimethoxy-propane

1595285-44-1

methyl 2,3:4,5:6,7-tri-O-isopropylidene-D-glycero-D-gulo-heptonate

Conditions
ConditionsYield
With hydrogenchloride In methanol; water for 1h; Reflux;54%
13007-85-7

sodium α-d-glucoheptonatehydrate

77-76-9

2,2-dimethoxy-propane

C22H40O8

Conditions
ConditionsYield
With hydrogenchloride Reflux;54%
13007-85-7

sodium α-d-glucoheptonatehydrate

2,3:4,5-di-O-isopropylidene-D-glycero-D-gulo-heptitol

Conditions
ConditionsYield
Multi-step reaction with 3 steps
1: hydrogenchloride / water; methanol / 1 h / Reflux
2: sulfuric acid / water; methanol / 4.25 h / 20 °C
3: lithium aluminium tetrahydride / tetrahydrofuran / 0.5 h / -40 °C / Reflux
View Scheme
Multi-step reaction with 3 steps
1: hydrogenchloride / 1 h / 0 °C / Reflux; Large scale
2: toluene-4-sulfonic acid / methanol / 4 h / -10 °C / Large scale
3: sodium tetrahydroborate / tetrahydrofuran / 5 h / 0 °C / Large scale
View Scheme
13007-85-7

sodium α-d-glucoheptonatehydrate

2,3:4,5-di-O-isopropylidene-L-glucitol

Conditions
ConditionsYield
Multi-step reaction with 4 steps
1: hydrogenchloride / water; methanol / 1 h / Reflux
2: sulfuric acid / water; methanol / 4.25 h / 20 °C
3: lithium aluminium tetrahydride / tetrahydrofuran / 0.5 h / -40 °C / Reflux
4: SiO2-supported NaIO4 / dichloromethane / 0.5 h
View Scheme
13007-85-7

sodium α-d-glucoheptonatehydrate

921-60-8

L-glucose

Conditions
ConditionsYield
Multi-step reaction with 5 steps
1: hydrogenchloride / water; methanol / 1 h / Reflux
2: sulfuric acid / water; methanol / 4.25 h / 20 °C
3: lithium aluminium tetrahydride / tetrahydrofuran / 0.5 h / -40 °C / Reflux
4: SiO2-supported NaIO4 / dichloromethane / 0.5 h
5: Dowex® / water / 24 h
View Scheme
13007-85-7

sodium α-d-glucoheptonatehydrate

1595285-45-2

methyl 2,3:4,5-di-O-isopropylidene-L-glucuronate

Conditions
ConditionsYield
Multi-step reaction with 3 steps
1: hydrogenchloride / water; methanol / 1 h / Reflux
2: sulfuric acid / water; methanol / 4.25 h / 20 °C
3: SiO2-supported NaIO4 / dichloromethane / 0.5 h / 20 °C
View Scheme
13007-85-7

sodium α-d-glucoheptonatehydrate

1595285-46-3

methyl 2,3:4,5-di-O-isopropylidene-D-glycero-D-gulo-heptonate

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: hydrogenchloride / water; methanol / 1 h / Reflux
2: sulfuric acid / water; methanol / 4.25 h / 20 °C
View Scheme
Multi-step reaction with 2 steps
1: hydrogenchloride / 1 h / 0 °C / Reflux; Large scale
2: toluene-4-sulfonic acid / methanol / 4 h / -10 °C / Large scale
View Scheme

(199)Re-perrhenate ion

13007-85-7

sodium α-d-glucoheptonatehydrate

C14H24O19Re(1-)

Conditions
ConditionsYield
With tin(ll) chloride In acetic acid at 20℃; for 0.5h; pH=2.5 - 7;
13007-85-7

sodium α-d-glucoheptonatehydrate

(2S,3R,4S,5S)-6-hydroxy-2,3:4,5-bis(isopropylenedioxy)hexanal

Conditions
ConditionsYield
Multi-step reaction with 4 steps
1: hydrogenchloride / 1 h / 0 °C / Reflux; Large scale
2: toluene-4-sulfonic acid / methanol / 4 h / -10 °C / Large scale
3: sodium tetrahydroborate / tetrahydrofuran / 5 h / 0 °C / Large scale
4: sodium periodate; silica gel / dichloromethane / 1 h / Large scale
View Scheme
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  • SODIUM GLUCOHEPTONATE 13007-85-7  CAS NO.13007-85-7

  • Casno:

    13007-85-7

    SODIUM GLUCOHEPTONATE 13007-85-7 CAS NO.13007-85-7

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  • Sodium Glucoheptonate powder 99%, CAS NO.13007-85-7

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    13007-85-7

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    13007-85-7

    Sodium alpha-glucoheptonate

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  • α-Sodium Glucoheptonate Dihydrate

  • Casno:

    13007-85-7

    α-Sodium Glucoheptonate Dihydrate

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  • Sodium glucoheptonate

  • Casno:

    13007-85-7

    Sodium glucoheptonate

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Specification

The D-glycero-D-gulo-Heptonicacid, sodium salt (1:1), with CAS registry number 13007-85-7, has the systematic name of sodium (2R,3R,4S,5R,6R)-2,3,4,5,6,7-hexahydroxyheptanoate (non-preferred name). This chemical should be stored at the temperature of −20°C. Its classification code is Pharmaceutic aid. What's more, its EINECS is 235-849-8.

Physical properties of D-glycero-D-gulo-Heptonicacid, sodium salt (1:1): (1)ACD/LogP: -4.07; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): -6.79; (4)ACD/LogD (pH 7.4): -7.77; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 8; (10)#H bond donors: 7; (11)#Freely Rotating Bonds: 12; (12)Polar Surface Area: 92.68 Å2; (13)Flash Point: 407.9 °C; (14)Enthalpy of Vaporization: 121.34 kJ/mol; (15)Boiling Point: 727.8 °C at 760 mmHg; (16)Vapour Pressure: 1.87E-24 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: [Na+].[O-]C(=O)[C@H](O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO
(2)InChI: InChI=1/C7H14O8.Na/c8-1-2(9)3(10)4(11)5(12)6(13)7(14)15;/h2-6,8-13H,1H2,(H,14,15);/q;+1/p-1/t2-,3-,4+,5-,6-;/m1./s1
(3)InChIKey: FMYOMWCQJXWGEN-KXDNYHJRBW
(4)Std. InChI: InChI=1S/C7H14O8.Na/c8-1-2(9)3(10)4(11)5(12)6(13)7(14)15;/h2-6,8-13H,1H2,(H,14,15);/q;+1/p-1/t2-,3-,4+,5-,6-;/m1./s1
(5)Std. InChIKey: FMYOMWCQJXWGEN-WYRLRVFGSA-M