Basic information
- CAS
903906-55-8- Standard SMILES
Cc1ccc(S[C@@H]2O[C@@H](C)[C@H](O)[C@H]3OC(C)(C)O[C@H]32)cc1- InChIKey
PNBWYCHINJWQQT-MQFWEAQZSA-N- Molecular formula
- C16H22O4S
- Average molar mass
- 310.4 g/mol
- Monoisotopic mass
- 310.12388035
Names & identifiers
- Preferred name
- 4-Methylphenyl 2,3-o-isopropylidene-1-thio-alpha-l-rhamnpyranoside
- IUPAC
- (3aR,4S,6S,7S,7aR)-2,2,6-trimethyl-4-(4-methylphenyl)sulfanyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-ol
- English name
- 4-Methylphenyl 2,3-O-isopropylidene-1-thio-α-L-rhamnopyranoside
- Molecular formula
- C16H22O4S
- Molecular weight
- 310.41
Names & synonyms
903906-55-84-Methylphenyl 2,3-o-isopropylidene-1-thio-alpha-l-rhamnpyranoside(3AR,4S,6S,7S,7aR)-2,2,6-trimethyl-4-(p-tolylthio)tetrahydro-4H-[1,3]dioxolo[4,5-c]pyran-7-ol(3Ar,4S,6S,7S,7aR)-2,2,6-trimethyl-4-(4-methylphenyl)sulfanyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-olC16H22O4SCS-0459415H29553A1-39771(3aR,4S,6S,7S,7aR)-2,2,6-trimethyl-4-(p-tolylsulfanyl)-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-olp-tolyl 2,3-O-isopropylidene-1-thio-α-L-rhamnopyranoside4-Methylphenyl 2,3-O-isopropylidene-1-thio-α-L-rhamnopyranosideα-L-Mannopyranoside, 4-methylphenyl 6-deoxy-2,3-O-(1-methylethylidene)-1-thio-
Database identifiers
- CAS
903906-55-8- PubChem CID
- 25108429
- Nikkaji
- J3.772.415G
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 73.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 367
Physicochemical properties
- Boiling point
- 457.1 · 457.1±45.0 °C(Predicted)
- Density
- 1.24 · 1.24±0.1 g/cm3(Predicted)
- pka
- 13.17 · 13.17±0.70(Predicted)
- HS Code
- 2938909090 · 2938909090
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
- hs_code
- 2938909090
Chemistry & industry
Suppliers9 total
南京世洲生物科技有限公司025-025-85560043 17301488900 · [email protected]
上海赛可锐生物科技有限公司021-58000709 13120558703 · [email protected]
上海维亦特生物科技有限公司15317051735 · [email protected]
南京世洲生物科技有限公司13675144456 · [email protected]
BOC Sciences16314854226 · [email protected]
北京秦岭医药科技有限公司010-61241352 18901327973 · [email protected]
济南山目生物医药科技有限公司0531-88821801 15192360884 · [email protected]
上海贝万塔生物科技有限公司021-67187366 19901745723 · [email protected]
上海甄准生物科技有限公司18019219489 18901678489 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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