Basic information
- CAS
534-46-3- Standard SMILES
O=C[C@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@@H](O)[C@H](O)[C@H](O)CO- InChIKey
PZDOWFGHCNHPQD-VNNZMYODSA-N- Molecular formula
- C12H22O11
- Average molar mass
- 342.3 g/mol
- Monoisotopic mass
- 342.11621151
Names & identifiers
- Preferred name
- Sophorose
- IUPAC
- (2R,3S,4R,5R)-3,4,5,6-tetrahydroxy-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexanal
- English name
- ALPHA-SOPHOROSE
- Molecular formula
- C12H22O11
- Molecular weight
- 342.3
Names & synonyms
2-O-beta-D-Glucopyranosyl-D-glucose534-46-3ZHQ3C30OP1CHEBI:1230DTXSID301336223RefChem:184372GlyTouCan:G11201LBDTXCID901766363G11201LB208-600-6beta-D-glucopyranosyl-(1->2)-D-glucopyranoseSophorose
Show more names
2-O-úA-D-SOPHOROSESOPHOROSE, A-D-ALPHA-SOPHOROSEa-Sophorosemonohydrate-D-Glucopyranosyl-ùα-Sophorose monohydrate ,98%Sophorose monohydrate-534-46-32-O--D-glucopyranosyl-D-glucose
(2R,3S,4R,5R)-3,4,5,6-tetrahydroxy-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexanal(2R,3S,4R,5R)-3,4,5,6-Tetrahydroxy-2-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)hexanalUNII-ZHQ3C30OP1EINECS 208-600-6Sophorose, >=98%SOPHOROSE [MI]Epitope ID:140628| cent-Sophorose monohydrate
Database identifiers
- CAS
534-46-3- PubChem CID
- 92797
- DTXSID
Properties
Computed structural properties
- XLogP
- -5
- Topological polar surface area
- 197 Ų
- Hydrogen bond donors
- 8
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 8
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 367
Experimental & physicochemical properties
Collision Cross Section
187.07 Ų [M-H]- [CCS Type: DT; Method: stepped-field]；183.57 Ų [M+Na]+ [CCS Type: DT; Method: stepped-field]
186.5 Ų [M-H]-；182.5 Ų [M+Na]+
Physicochemical properties
- Melting point
- 197 ℃ · 197℃ (ethanol, 90% )
- Boiling point
- 783.7 · 783.7±60.0 °C(Predicted)
- Density
- 1.68 · 1.68±0.1 g/cm3(Predicted)
- solubility
- Easily soluble (water)
- pka
- 12.79 · 12.79±0.70(Predicted)
- optical activity
- 27.3 · +27.3 → +20
- LogP
- -4.34 · -4.340 (est)
- FDA UNII
- 3 C30OP1 · ZHQ3C30OP1
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
Safety & regulation
Safety data
- hs_code
- 29329990
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Applications
UsesSophorose is a disaccharide component of microbial glycolipids produced by yeast called sophorolipids. Due to their hydrophobic nature, sophorolipids are commonly used as biosurfactants. Sophorolipids also exhibit antibacterial, antifungal, spermicidal, virucidal, and anticancer activities. Sophorose has been identified as a potent inducer of cellulase gene expression in Trichoderma reesei fermentation studies.
Suppliers15 total
成都乐美天医药科技有限公司17308096051 17308096051 · [email protected]
杭州璟皓生物科技有限公司（原河南辛迪加生物）17513242016 · [email protected]
上海汇凯化学科技有限公司021-61995394 18916691159 · [email protected]
四川省维克奇生物科技有限公司028-81700200 18116577057 · [email protected]
雷丁试剂0510-85629785 18013409632 · [email protected]
陕西缔都医药化工有限公司029-81024372 17792795018 · [email protected]
资川生化科技(苏州)有限公司0512-66317708 13372112871 · [email protected]
上海陶术生物科技股份有限公司13564774135 · [email protected]
BOC Sciences[email protected]
Watson Biotechnology Co.,Ltd+86-18186686046 · [email protected]
雷丁科技
Related reactions
5 records
Compound notes
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