ChemSpider 2D Image | (1R,7S,8S,11R)-7-Hydroxy-11-[hydroxy(~13~C)methyl]-15-(~13~C)methyl(~13~C_11_)-12,13-dithia-9,15-diazatetracyclo[9.2.2.0~1,9~.0~3,8~]pentadeca-3,5-diene-10,14-dione | 13C13H14N2O4S2

(1R,7S,8S,11R)-7-Hydroxy-11-[hydroxy(13C)methyl]-15-(13C)methyl(13C11)-12,13-dithia-9,15-diazatetracyclo[9.2.2.01,9.03,8]pentadeca-3,5-diene-10,14-dione

  • Molecular Formula13C13H14N2O4S2
  • Average mass339.296 Da
  • Monoisotopic mass339.083099 Da
  • ChemSpider ID112747252

  • defined stereocentres - 4 of 4 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

(1R,7S,8S,11R)-7-Hydroxy-11-[hydroxy(13C)methyl]-15-(13C)methyl(13C11)-12,13-dithia-9,15-diazatetracyclo[9.2.2.01,9.03,8]pentadeca-3,5-dien-10,14-dion [German] [ACD/IUPAC Name]
(1R,7S,8S,11R)-7-Hydroxy-11-[hydroxy(13C)methyl]-15-(13C)methyl(13C11)-12,13-dithia-9,15-diazatetracyclo[9.2.2.01,9.03,8]pentadeca-3,5-diene-10,14-dione [ACD/IUPAC Name]
(1R,7S,8S,11R)-7-Hydroxy-11-[hydroxy(13C)méthyl]-15-(13C)méthyl(13C11)-12,13-dithia-9,15-diazatétracyclo[9.2.2.01,9.03,8]pentadéca-3,5-diène-10,14-dione [French] [ACD/IUPAC Name]
10H-3,10a-(Iminomethano)[1,2,4]dithiazino[4,3-a]indole-4,11(3H)-dione-3,4,5a,6,7,8,9,9a,10,10a,11-13C11, 5a,6-dihydro-6-hydroxy-3-(hydroxymethyl-13C)-12-(methyl-13C)-, (3R,5aS,6S,10aR)- [ACD/Index Name]

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

Density: 1.8±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.814
Molar Refractivity: 80.7±0.4 cm3
#H bond acceptors:
#H bond donors:
#Freely Rotating Bonds:
#Rule of 5 Violations:
ACD/LogP:
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5):
ACD/KOC (pH 5.5):
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4):
ACD/KOC (pH 7.4):
Polar Surface Area:
Polarizability: 32.0±0.5 10-24cm3
Surface Tension: 103.2±5.0 dyne/cm
Molar Volume: 186.5±5.0 cm3

Click to predict properties on the Chemicalize site


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