D-Glucoheptonic acid-1,4-lactone

Base Information

• Chemical Name: D-Glucoheptonic acid-1,4-lactone
• CAS No.: 89-67-8
• Molecular Formula: C7H12 O7
• Molecular Weight: 208.168
• European Community (EC) Number: 201-929-6
• Mol file: 89-67-8.mol

Synonyms:89-67-8;(3R,4S,5S)-3,4-Dihydroxy-5-((1R,2S)-1,2,3-trihydroxypropyl)dihydrofuran-2(3H)-one;(3R,4S,5S)-3,4-DIHYDROXY-5-[(1R,2S)-1,2,3-TRIHYDROXYPROPYL]OXOLAN-2-ONE;2166224-43-5;D-Glucoheptonic acid-1,4-lactone;SCHEMBL7150896;D-Glycero-D-gulo-heptonicacid,g-lactone

Chemical Property of D-Glucoheptonic acid-1,4-lactone

Chemical Property:

• Vapor Pressure: 1.94E-10mmHg at 25°C
• Melting Point: 152-155 °C(lit.)
• Boiling Point: 461°C at 760 mmHg
• PKA: 12.05±0.60(Predicted)
• Flash Point: 192.1°C
• PSA: 127.45000
• Density: 1.61g/cm³
• LogP: -3.65230
• XLogP3: -2.6
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 3
• Exact Mass: 208.05830272
• Heavy Atom Count: 14
• Complexity: 218

Purity/Quality:

98%, ^*data from raw suppliers

(3R,4S,5R)-3,4-Dihydroxy-5-((1S,2R)-1,2,3-trihydroxypropyl)dihydrofuran-2(3H)-one 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C(C(C(C1C(C(C(=O)O1)O)O)O)O)O
• Isomeric SMILES: C([C@@H]([C@H]([C@H]1[C@H]([C@H](C(=O)O1)O)O)O)O)O
• Uses: γ-?Lactone D-?Glycero-?D-?gulo-?Heptonic Acid can be used for sunscreen anti-aging repair lotion.

Technology Process of D-Glucoheptonic acid-1,4-lactone

There total 9 articles about D-Glucoheptonic acid-1,4-lactone which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 95.0%

5,7-O-benzylidene-D-glycero-D-gulo-heptono-1,4-lactone (151795-04-9) → α-D-glucoheptonic γ-lactone (89-67-8)

Guidance literature:

With acetic acid; for 24h; Ambient temperature;

DOI:10.1016/S0957-4166(00)80363-8

Reference yield:

D-glycero-D-gulo-heptonic benzoylhydrazide (77364-17-1) → α-D-glucoheptonic γ-lactone (89-67-8)

Guidance literature:

With copper(II) sulfate; Multistep reaction; 1.) water, reflux 5 h;

DOI:10.1016/S0008-6215(00)80989-1

Reference yield:

D-glycero-D-gulo-heptonic acid hydrazide (130538-63-5) → α-D-glucoheptonic γ-lactone (89-67-8)

Guidance literature:

With hydrogenchloride; nitrogen oxides;

DOI:10.1021/ja01212a036

upstream raw materials:

D-Allose

sodium cyanide

D-glucoheptonic acid

D-glycero-D-gulo-heptonic acid hydrazide

Downstream raw materials:

D-glycero-D-allo-heptonic acid-(N'-phenyl-hydrazide)

2--benzimidazol

4-propylbutanolide

D-glycero-D-gulo-heptose