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| CAS No.: | 3615-44-9 |
|---|---|
| Name: | D-MANNOHEPTULOSE |
| Article Data: | 13 |
| Molecular Structure: | |
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| Formula: | C7H14O7 |
| Molecular Weight: | 210.184 |
| Synonyms: | D-manno-Heptulose(7CI,8CI);(+)-Mannoheptulose;D-Mannoheptulose;NSC 226836; |
| EINECS: | 222-795-5 |
| Density: | 1.645 g/cm3 |
| Melting Point: | 151 ºC |
| Boiling Point: | 628 °C at 760 mmHg |
| Flash Point: | 347.6 °C |
| Safety: | 24/25 |
| PSA: | 130.61000 |
| LogP: | -3.85890 |
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- 625-48-9
2-nitro-1-ethanol
- 10323-20-3
D-Arabinose
- 124-41-4
sodium methylate
A
- 3615-44-9
D-mannoheptulose
B
- 5349-37-1
(3R,4S,5R,6R)-1,3,4,5,6,7-Hexahydroxy-heptan-2-one
| Conditions | Yield |
|---|---|
| Behandeln des Reaktionsprodukts mit wss.Schwefelsaeure; |
- 625-48-9
2-nitro-1-ethanol
- 10323-20-3
D-Arabinose
A
- 3615-44-9
D-mannoheptulose
B
- 5349-37-1
(3R,4S,5R,6R)-1,3,4,5,6,7-Hexahydroxy-heptan-2-one
| Conditions | Yield |
|---|---|
| With methanol; sodium methylate und Behandeln des Reaktionsprodukts mit wss.Schwefelsaeure; |
- 3615-44-9
D-mannoheptulose
| Conditions | Yield |
|---|---|
| With pyridine |
- 3615-44-9
D-mannoheptulose
| Conditions | Yield |
|---|---|
| With sulfuric acid; water at 60℃; for 12h; | 0.53 g |
| Conditions | Yield |
|---|---|
| With hydrogenchloride at 25℃; for 17h; | 95% |
| With hydrogenchloride |
- 3615-44-9
D-mannoheptulose
- 67-64-1
acetone
- 101561-45-9, 101561-46-0
1,2:3,4:6,7-tri-O-isopropylidene-D-manno-heptulofuranose
| Conditions | Yield |
|---|---|
| With sulfuric acid; copper(II) sulfate at 25℃; for 24h; | 56% |
- 110-86-1
pyridine
- 3615-44-9
D-mannoheptulose
- 108-24-7
acetic anhydride
A
- 66904-33-4
Hexa-O-acetyl-α-D-manno-[2]heptulopyranose
- 32852-07-6
L-manno-1,3,4,5,6,7-Hexahydroxy-heptan-2-on
- 3615-44-9
D-mannoheptulose
| Conditions | Yield |
|---|---|
| With ethanol |
| Conditions | Yield |
|---|---|
| With sodium amalgam |
| Conditions | Yield |
|---|---|
| With sulfuric acid |
- Total:28 Page 1 of 1 1
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Specification
The D-manno-2-Heptulose, with the CAS registry number 3615-44-9, is also known as (+)-Mannoheptulose. It belongs to the product category of Carbohydrates. Its EINECS number is 222-795-5. This chemical's molecular formula is C7H14O7 and molecular weight is 210.18. What's more, its systematic name is D-manno-hept-2-ulose. It is a hexokinase inhibitor. It is a heptose, a monosaccharide with seven carbon atoms. By blocking the enzyme hexokinase, it prevents glucose phosphorylation.
Physical properties of D-manno-2-Heptulose are: (1)ACD/LogP: -2.48; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): -2.47; (4)ACD/BCF (pH 5.5): 1; (5)ACD/KOC (pH 5.5): 1.07; (6)#H bond acceptors: 7; (7)#H bond donors: 6; (8)#Freely Rotating Bonds: 12; (9)Polar Surface Area: 72.45 Å2; (10)Index of Refraction: 1.597; (11)Molar Refractivity: 43.55 cm3; (12)Molar Volume: 127.7 cm3; (13)Polarizability: 17.26×10-24cm3; (14)Surface Tension: 101.6 dyne/cm; (15)Density: 1.645 g/cm3; (16)Flash Point: 347.6 °C; (17)Enthalpy of Vaporization: 106.52 kJ/mol; (18)Boiling Point: 628 °C at 760 mmHg; (19)Vapour Pressure: 2.08E-18 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C([C@@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)CO
(2)InChI: InChI=1S/C7H14O7/c8-1-3(10)5(12)7(14)6(13)4(11)2-9/h3,5-10,12-14H,1-2H2/t3-,5-,6-,7+/m1/s1
(3)InChIKey: HSNZZMHEPUFJNZ-QMTIVRBISA-N