ChemSpider 2D Image | (2S)-2-[(1R)-2-Butoxy-1-{[(1S,5R,8aS)-5-(hydroxymethyl)-5,8a-dimethyl-2-methylenedecahydro-1-naphthalenyl]methoxy}-2-oxoethyl]succinic acid (non-preferred name) | C25H40O8

(2S)-2-[(1R)-2-Butoxy-1-{[(1S,5R,8aS)-5-(hydroxymethyl)-5,8a-dimethyl-2-methylenedecahydro-1-naphthalenyl]methoxy}-2-oxoethyl]succinic acid (non-preferred name)

  • Molecular FormulaC25H40O8
  • Average mass468.580 Da
  • Monoisotopic mass468.272308 Da
  • ChemSpider ID78441822

  • defined stereocentres - 5 of 6 defined stereocentres

More details:

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

(2S)-2-[(1R)-2-Butoxy-1-{[(1S,5R,8aS)-5-(hydroxymethyl)-5,8a-dimethyl-2-methylendecahydro-1-naphthalinyl]methoxy}-2-oxoethyl]bernsteinsäure (non-preferred name) [German] [ACD/IUPAC Name]
(2S)-2-[(1R)-2-Butoxy-1-{[(1S,5R,8aS)-5-(hydroxymethyl)-5,8a-dimethyl-2-methylenedecahydro-1-naphthalenyl]methoxy}-2-oxoethyl]succinic acid (non-preferred name) [ACD/IUPAC Name]
Acide (2S)-2-[(1R)-2-butoxy-1-{[(1S,5R,8aS)-5-(hydroxyméthyl)-5,8a-diméthyl-2-méthylènedécahydro-1-naphtalényl]méthoxy}-2-oxoéthyl]succinique (non-preferred name) [French] [ACD/IUPAC Name]
L-threo-Pentaric acid, 3-carboxy-2-O-[[(1S,5R,8aS)-decahydro-5-(hydroxymethyl)-5,8a-dimethyl-2-methylene-1-naphthalenyl]methyl]-3,4-dideoxy-, 1-butyl ester [ACD/Index Name]
Cryptoporic acid S

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

Density: 1.2±0.1 g/cm3
Boiling Point: 614.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.0 mmHg at 25°C
Enthalpy of Vaporization: 104.5±6.0 kJ/mol
Flash Point: 198.7±25.0 °C
Index of Refraction: 1.530
Molar Refractivity: 121.6±0.4 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 1
ACD/LogP: 6.34
ACD/LogD (pH 5.5): 2.53
ACD/BCF (pH 5.5): 12.38
ACD/KOC (pH 5.5): 41.46
ACD/LogD (pH 7.4): 0.29
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 130 Å2
Polarizability: 48.2±0.5 10-24cm3
Surface Tension: 50.4±5.0 dyne/cm
Molar Volume: 393.9±5.0 cm3

Click to predict properties on the Chemicalize site


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