ChemSpider 2D Image | chrodrimanin K | C25H31ClO6

chrodrimanin K

  • Molecular FormulaC25H31ClO6
  • Average mass462.963 Da
  • Monoisotopic mass462.180908 Da
  • ChemSpider ID61708530

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(2R,7aR,8S,9aR,13aS,13bS)-6-Chlor-5,8-dihydroxy-2,7a,10,10,13a-pentamethyl-1,8,9,9a,10,12,13,13a,13b,14-decahydro-2H,4H-benzo[a]pyrano[3,4-j]xanthen-4,11(7aH)-dion [German] [ACD/IUPAC Name]
(2R,7aR,8S,9aR,13aS,13bS)-6-Chloro-5,8-dihydroxy-2,7a,10,10,13a-pentamethyl-1,8,9,9a,10,12,13,13a,13b,14-decahydro-2H,4H-benzo[a]pyrano[3,4-j]xanthene-4,11(7aH)-dione [ACD/IUPAC Name]
(2R,7aR,8S,9aR,13aS,13bS)-6-Chloro-5,8-dihydroxy-2,7a,10,10,13a-pentaméthyl-1,8,9,9a,10,12,13,13a,13b,14-décahydro-2H,4H-benzo[a]pyrano[3,4-j]xanthène-4,11(7aH)-dione [French] [ACD/IUPAC Name]
2H,4H-Benzo[a]pyrano[3,4-j]xanthene-4,11(7aH)-dione, 6-chloro-1,8,9,9a,10,12,13,13a,13b,14-decahydro-5,8-dihydroxy-2,7a,10,10,13a-pentamethyl-, (2R,7aR,8S,9aR,13aS,13bS)- [ACD/Index Name]
chrodrimanin K

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 660.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 102.1±3.0 kJ/mol
Flash Point: 353.2±31.5 °C
Index of Refraction: 1.578
Molar Refractivity: 118.7±0.3 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 4.47
ACD/LogD (pH 5.5): 4.95
ACD/BCF (pH 5.5): 3403.89
ACD/KOC (pH 5.5): 11735.95
ACD/LogD (pH 7.4): 4.88
ACD/BCF (pH 7.4): 2915.01
ACD/KOC (pH 7.4): 10050.39
Polar Surface Area: 93 Å2
Polarizability: 47.1±0.5 10-24cm3
Surface Tension: 48.4±3.0 dyne/cm
Molar Volume: 357.4±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement