Found 1 result

Search term: YCIUCIBXUZOYMY-WCEMGWLASA-N (Found by InChIKey (full match))
ChemSpider 2D Image | adenosylhopane | C40H63N5O3

adenosylhopane

  • Molecular FormulaC40H63N5O3
  • Average mass661.960 Da
  • Monoisotopic mass661.493103 Da
  • ChemSpider ID58145496

  • defined stereocentres - 12 of 14 defined stereocentres

More details:

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

(2R,3R,4S,5R)-2-(6-Amino-9H-purin-9-yl)-5-{3-[(3aS,5aR,5bR,7aS,11aS,11bR,13aR,13bS)-5a,5b,8,8,11a,13b-hexamethylicosahydro-1H-cyclopenta[a]chrysen-3-yl]butyl}tetrahydro-3,4-furandiol (non-preferred na me) [German] [ACD/IUPAC Name]
(2R,3R,4S,5R)-2-(6-Amino-9H-purin-9-yl)-5-{3-[(3aS,5aR,5bR,7aS,11aS,11bR,13aR,13bS)-5a,5b,8,8,11a,13b-hexamethylicosahydro-1H-cyclopenta[a]chrysen-3-yl]butyl}tetrahydro-3,4-furandiol (non-preferred na me) [ACD/IUPAC Name]
(2R,3R,4S,5R)-2-(6-Amino-9H-purin-9-yl)-5-{3-[(3aS,5aR,5bR,7aS,11aS,11bR,13aR,13bS)-5a,5b,8,8,11a,13b-hexaméthylicosahydro-1H-cyclopenta[a]chrysén-3-yl]butyl}tétrahydro-3,4-furanediol (non-preferred n ame) [French] [ACD/IUPAC Name]
3,4-Furandiol, 2-(6-amino-9H-purin-9-yl)-5-[3-[(3aS,5aR,5bR,7aS,11aS,11bR,13aR,13bS)-eicosahydro-5a,5b,8,8,11a,13b-hexamethyl-1H-cyclopenta[a]chrysen-3-yl]butyl]tetrahydro-, (2R,3R,4S,5R)- [ACD/Index Name]
adenosylhopane
30-(5'-Adenosyl)hopane
97885-00-2 [RN]
adenosylhopene
  • Miscellaneous

    • Chemical Class:

      A bacterial hopanoid obtained by addition of an adenosyl group across the double bond of hopene. ChEBI CHEBI:86403

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

Density: 1.4±0.1 g/cm3
Boiling Point: 768.7±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 117.4±3.0 kJ/mol
Flash Point: 418.7±35.7 °C
Index of Refraction: 1.683
Molar Refractivity: 186.0±0.5 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: 12.68
ACD/LogD (pH 5.5): 11.03
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 11.04
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 119 Å2
Polarizability: 73.7±0.5 10-24cm3
Surface Tension: 51.4±7.0 dyne/cm
Molar Volume: 490.4±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement