ChemSpider 2D Image | 35-Amino-3-methylbacteriohopane-30,31,32,33,34-pentol | C36H65NO5

35-Amino-3-methylbacteriohopane-30,31,32,33,34-pentol

  • Molecular FormulaC36H65NO5
  • Average mass591.905 Da
  • Monoisotopic mass591.486267 Da
  • ChemSpider ID113019

  • defined stereocentres - 16 of 16 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(2S,3S,4R,5R,6R,7S)-1-Amino-7-[(3S,3aS,5aR,5bR,7aS,9S,11aS,11bR,13aR,13bS)-5a,5b,8,8,9,11a,13b-heptamethylicosahydro-1H-cyclopenta[a]chrysen-3-yl]-2,3,4,5,6-octanepentol [ACD/IUPAC Name]
(2S,3S,4R,5R,6R,7S)-1-Amino-7-[(3S,3aS,5aR,5bR,7aS,9S,11aS,11bR,13aR,13bS)-5a,5b,8,8,9,11a,13b-heptaméthylicosahydro-1H-cyclopenta[a]chrysén-3-yl]-2,3,4,5,6-octanepentol [French] [ACD/IUPAC Name]
(2S,3S,4R,5R,6R,7S)-1-Amino-7-[(3S,3aS,5aR,5bR,7aS,9S,11aS,11bR,13aR,13bS)-5a,5b,8,8,9,11a,13b-heptamethylicosahydro-1H-cyclopenta[a]chrysen-3-yl]-2,3,4,5,6-octanpentol [German] [ACD/IUPAC Name]
35-Amino-3-methylbacteriohopane-30,31,32,33,34-pentol
99541-80-7 [RN]
D-erythro-D-allo-Octitol, 1-amino-1,7,8-trideoxy-7-[(3S,3aS,5aR,5bR,7aS,9S,11aS,11bR,13aR,13bS)-eicosahydro-5a,5b,8,8,9,11a,13b-heptamethyl-1H-cyclopenta[a]chrysen-3-yl]- [ACD/Index Name]
(2S,3S,4R,5R,6R,7S)-1-amino-7-[(3S,3aS,5aR,5bR,7aS,9S,11aS,11bR,13aR,13bS)-5a,5b,8,8,9,11a,13b-heptamethylicosahydro-1H-cyclopenta[a]chrysen-3-yl]octane-2,3,4,5,6-pentol
(2s,3s,4r,5r,6r,7s)-1-amino-7-[(3s,3as,5ar,5br,7as,9s,11as,11br,13ar,13bs)-5a,5b,8,8,9,11a,13b-heptamethylicosahydro-1h-cyclopenta[a]chrysen-3-yl]octane-2,3,4,5,6-pentol(non-preferred name)
3-methylaminobacteriohopanepentol
AMBHP
More...
  • Miscellaneous

    • Chemical Class:

      A member of the class of hopanoids that is bacteriohopane-30,31,32,33,34-pentol carrying additional methyl and amino substituents at positions 3 and 35 respectively. Isolated from <ital>Methylococcus capsulatus</ital>. ChEBI CHEBI:87086
      A member of the class of hopanoids that is bacteriohopane-30,31,32,33,34-pentol carrying additional methyl and amino substituents at positions 3 and 35 respectively. Isolated from Methylococcus ; caps ulatus. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:87086
      A member of the class of hopanoids that is bacteriohopane-30,31,32,33,34-pentol carrying additional methyl and amino substituents at positions 3 and 35 respectively. Isolated from Methylococcus capsul atus. ChEBI CHEBI:87086

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.1±0.1 g/cm3
Boiling Point: 711.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.2 mmHg at 25°C
Enthalpy of Vaporization: 118.8±6.0 kJ/mol
Flash Point: 383.9±32.9 °C
Index of Refraction: 1.538
Molar Refractivity: 169.6±0.3 cm3
#H bond acceptors: 6
#H bond donors: 7
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 3
ACD/LogP: 8.59
ACD/LogD (pH 5.5): 3.01
ACD/BCF (pH 5.5): 22.63
ACD/KOC (pH 5.5): 48.11
ACD/LogD (pH 7.4): 4.44
ACD/BCF (pH 7.4): 613.17
ACD/KOC (pH 7.4): 1303.50
Polar Surface Area: 127 Å2
Polarizability: 67.2±0.5 10-24cm3
Surface Tension: 44.2±3.0 dyne/cm
Molar Volume: 541.7±3.0 cm3

Click to predict properties on the Chemicalize site


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