ChemSpider 2D Image | (1R,2R,5S,6S,7S,10R,12S,13S)-6,13-Bis(hydroxymethyl)-2,6-dimethyltetracyclo[10.3.1.0~1,10~.0~2,7~]hexadecane-5,13-diol | C20H34O4

(1R,2R,5S,6S,7S,10R,12S,13S)-6,13-Bis(hydroxymethyl)-2,6-dimethyltetracyclo[10.3.1.01,10.02,7]hexadecane-5,13-diol

  • Molecular FormulaC20H34O4
  • Average mass338.482 Da
  • Monoisotopic mass338.245697 Da
  • ChemSpider ID34986124

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(1R,2R,5S,6S,7S,10R,12S,13S)-6,13-Bis(hydroxymethyl)-2,6-dimethyltetracyclo[10.3.1.01,10.02,7]hexadecan-5,13-diol [German] [ACD/IUPAC Name]
(1R,2R,5S,6S,7S,10R,12S,13S)-6,13-Bis(hydroxymethyl)-2,6-dimethyltetracyclo[10.3.1.01,10.02,7]hexadecane-5,13-diol [ACD/IUPAC Name]
(1R,2R,5S,6S,7S,10R,12S,13S)-6,13-Bis(hydroxyméthyl)-2,6-diméthyltétracyclo[10.3.1.01,10.02,7]hexadécane-5,13-diol [French] [ACD/IUPAC Name]
8,11a-Methano-11aH-cyclohepta[a]naphthalene-4,9-dimethanol, tetradecahydro-3,9-dihydroxy-4,11b-dimethyl-, (3S,4S,4aS,6aR,8S,9S,11aR,11bR)- [ACD/Index Name]
38966-21-1 [RN]
69926-98-3 [RN]
8,11a-Methano-11aH-cyclohepta[a]naphthalene-4,9-dimethanol, tetradecahydro-3,9-dihydroxy-4,11b-dimethyl-, (3S,4R,4aR,6aS,8R,9R,11aS,11bS)- [ACD/Index Name]
ACon0_000080
ACon1_000511
APC
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

A0781_SIAL [DBID]
AIDS014876 [DBID]
AIDS-014876 [DBID]
Bio1_000159 [DBID]
Bio1_000648 [DBID]
Bio1_001137 [DBID]
Bio2_000158 [DBID]
Bio2_000638 [DBID]
CBiol_001873 [DBID]
KBio2_000158 [DBID]
More...

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

Density: 1.2±0.1 g/cm3
Boiling Point: 507.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 89.6±6.0 kJ/mol
Flash Point: 230.4±24.7 °C
Index of Refraction: 1.586
Molar Refractivity: 92.6±0.4 cm3
#H bond acceptors: 4
#H bond donors: 4
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.69
ACD/LogD (pH 5.5): 2.05
ACD/BCF (pH 5.5): 21.44
ACD/KOC (pH 5.5): 312.26
ACD/LogD (pH 7.4): 2.05
ACD/BCF (pH 7.4): 21.44
ACD/KOC (pH 7.4): 312.26
Polar Surface Area: 81 Å2
Polarizability: 36.7±0.5 10-24cm3
Surface Tension: 57.0±5.0 dyne/cm
Molar Volume: 276.0±5.0 cm3

Click to predict properties on the Chemicalize site


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