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Basic information
- CAS
99541-79-4- Standard SMILES
C[C@H]([C@@H](O)[C@@H](O)[C@@H](O)[C@@H](O)[C@@H](O)CN)[C@H]1CC[C@]2(C)[C@H]3CC[C@@H]4[C@@]5(C)CCCC(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@@H]12- InChIKey
NSCULDDFRWOMLE-IYFNNQAXSA-N- Molecular formula
- C35H63NO5
- Average molar mass
- 577.891 g/mol
- Monoisotopic mass
- 577.47062412
Names & identifiers
- Preferred name
- 35-Aminobacteriohopane-30,31,32,33,34-pentol
- IUPAC
- (2S,3S,4R,5R,6R,7S)-1-Amino-7-[(3S,3aS,5aR,5bR,7aS,11aS,11bR,13aR,13bS)-5a,5b,8,8,11a,13b-hexamethylicosahydro-1H-cyclopenta[a]chrysen-3-yl]octane-2,3,4,5,6-pentol
- English name
- 35-aminobacteriohopane-30,31,32,33,34-pentol
- Molecular formula
- C35H63NO5
- Molecular weight
- 577.88
Names & synonyms
Reaxys ID: 433711435-aminobacteriohopane-30,31,32,33,34-pentol
Database identifiers
- CAS
99541-79-4- PubChem CID
- 127361
- DTXSID
DTXSID701255437- ChEBI
CHEBI:87085
Properties
Physicochemical properties
- Boiling point
- 706.709 · 706.709±60.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.108 · 1.108±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 11.959 · 11.959±0.35(predicted)
Chemistry & industry
Additional notes
DefinitionChEBI: A member of the class of hopanoids that is bacteriohopane-30,31,32,33,34-pentol carrying an additional amino substituent at position 35. Isolated from Methylococcus capsulatus.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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