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Basic information
- CAS
68539-16-2- Standard SMILES
CC1(C)OC[C@@H]2O[C@@]3(C(=O)O)OC(C)(C)O[C@H]3[C@@H]2O1.O- InChIKey
ZFQRGFMVXLSLKZ-ZYRLPJSWNA-N- Molecular formula
- C12H20O8
- Average molar mass
- 292.28 g/mol
Names & identifiers
- Preferred name
- (-)-Diacetone-2-keto-L-gulonic acid monohydrate
- English name
- (-)-Diacetone-2-keto-L-gulonic acid monohydrate
- Molecular formula
- C12H20O8
- Molecular weight
- 292.28
Names & synonyms
2,3:4,6-DI-O-ISOPROPYLIDENE-2-KETO-L-GULONIC ACID MONOHYDRATE2,3:4,6-di-O-isoproDIKEGULAC MONOHYDRATE()-Diaceton-2-keto-L-gulonsureisopropylidene-2-keto-L-gulonic AcidDiisoproyplideneketogulonicacidmonohydrate(-)-Diacetone-2-keto-L-gulonic acid 1-hydrate(-)-Diacetone-2-keto-L-gulonic acid monohydrate4,6 Di-O-Isopropylidene-2-Keto-L-Gulonic Acid Hydrate2,3:4,6-Di-O-isopropyliden-α-L-xylo-2-hexulofuranosonsure
Database identifiers
- CAS
68539-16-2- PubChem CID
- 16211407
Properties
Physicochemical properties
- Melting point
- 88 · 88-90 °C(lit.)
- alpha
- -20 · -20 º (c=2 in methanol)
- refractive index
- -20 ° · -20 ° (C=2, MeOH)
- storage temp.
- 2 · 2-8°C
- form
- powder to crystal
- color
- White to Light yellow
- optical activity
- 21 · [α]21/D 20°, c = 2 in methanol
- Merck
- 14 · 14,3199
- InChI
- InChI=1/C12H18O7.H2O/c1-10(2)15-5-6-7(17-10)8-12(16-6,9(13)14)19-11(3,4)18-8;/h6-8H,5H2,1-4H3,(H,13,14);1H2/t6-,7+,8-,12+;/s3
- InChIKey
- ZFQRGFMVXLSLKZ-ZYRLPJSWNA-N
- SMILES
- C([C@]12OC(C)(C)O[C@@]1([H])[C@]1([H])OC(C)(C)OC[C@]1([H])O2)(=O)O.O |&1:1,7,9,17,r|
- CAS DataBase Reference
- 68539 · 68539-16-2
- UNSPSC Code
- 12352106 · 12352106
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- PPE
- 95 · Eyeshields, Gloves, type N95 (US)
- Safety Statements
- 22 · 22-24/25
- WGK Germany
- 3 · 3
- HS Code
- 2940000080 · 2940000080
- Storage Class
- 11 · 11 - Combustible Solids
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- PPE
- Eyeshields, Gloves, type N95 (US)
- wgk
- 3
- hs_code
- 2940000080
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 22-24/25
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Suppliers70 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
阿诺西（上海）生物技术有限公司400-1107768 15058188853 · [email protected]
苏州道澜生物医药科技有限公司15952404857 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
合肥曼奇诺生物医药技术有限公司19719236623 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
上海腾准生物科技有限公司19821570922 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
上海凌凯科技股份有限公司58950110 13124863828 · [email protected]
T&W GROUP021-61551611 13296011611 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
韶远科技（上海）有限公司021-50795510 4000665055 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）
Related reactions
3 records
Compound notes
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