METHYL 2-KETO-L-GULONATE (CAS 3031-98-9) — formula C7H12O7, molecular weight 208.17; category organic chemicals.
| CAS Number | 3031-98-9 |
|---|---|
| Molecular Formula | C7H12O7 |
| Molecular Weight | 208.17 |
| LogP | -2.5 |
| Category | Organic Chemicals |
METHYL 2-KETO-L-GULONATE is a carbon-based organic compound with CAS registry number 3031-98-9 and molecular formula C7H12O7 (molecular weight 208.17), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 3031-98-9
Its molecular formula C7H12O7 comprises 7 C, 12 H, 7 O atoms.
Also known as: METHYL 2-KETO-L-GULONATE · (3S,4R,5S)-3,4,5,6-四羟基-2-氧代己酸甲酯
Category: organic chemicals
The CAS registry number of METHYL 2-KETO-L-GULONATE is 3031-98-9.
Molecular formula C7H12O7, molecular weight 208.17.
It is also registered under: METHYL 2-KETO-L-GULONATE, (3S,4R,5S)-3,4,5,6-四羟基-2-氧代己酸甲酯.
Category: Organic Chemicals.
Independent reference data for METHYL 2-KETO-L-GULONATE (CAS 3031-98-9), compiled from public chemistry databases.
| CAS 号 | 3031-98-9 |
|---|---|
| PubChem CID | 200979 |
| 分子式 | C7H12O7 |
| IUPAC 名称 | methyl (3S,4R,5S)-3,4,5,6-tetrahydroxy-2-oxohexanoate |
| UNII（FDA） | IF3VWH6PCF |
| Molecular Weight | 208.17 |
|---|---|
| XLogP3 | -2.5 |
| Hydrogen Bond Donor Count | 4 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 6 |
| Exact Mass | 208.05830272 |
| Monoisotopic Mass | 208.05830272 |
| Topological Polar Surface Area | 124 |
| Heavy Atom Count | 14 |
3031-98-9; Methyl 2-keto-L-gulonate; Methyl L-xylo-hexulosonate; Methyl L-xylo-2-hexulosonate; 2-Keto-L-gulonic acid methyl ester; IF3VWH6PCF; NSC-163924; DTXSID50184405; RefChem:1089586; DTXCID20106896; (3S,4R,5S)-Methyl 3,4,5,6-tetrahydroxy-2-oxohexanoate; L-xylo-2-Hexulosonic acid, methyl ester; Xylohexulosonic acid, methyl ester; methyl (3S,4R,5S)-3,4,5,6-tetrahydroxy-2-oxohexanoate; methyl L-sorbosonate; L-xylo-2-Hexulosonic Acid Methyl Ester
(3S,4R,5S)-3,4,5,6-四羟基-2-氧代己酸甲酯 · CAS 3031-98-9 · C7H12O7. UNII IF3VWH6PCF.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.