Found 2 results

Search term: ZZWKZBFKPUIRCZ (Found by InChIKey (skeleton match))
ChemSpider 2D Image | Disodium 2-{[(1R,2R,4aS,8aS)-1,2-dimethyl-5-methylene-4a-{2-[(1R,2S,8aS)-1,2,5,5-tetramethyl-1,2,3,5,6,7,8,8a-octahydro-1-naphthalenyl]ethyl}decahydro-1-naphthalenyl]methyl}-1,4-phenylene disulfate | C36H52Na2O8S2

Disodium 2-{[(1R,2R,4aS,8aS)-1,2-dimethyl-5-methylene-4a-{2-[(1R,2S,8aS)-1,2,5,5-tetramethyl-1,2,3,5,6,7,8,8a-octahydro-1-naphthalenyl]ethyl}decahydro-1-naphthalenyl]methyl}-1,4-phenylene disulfate

  • Molecular FormulaC36H52Na2O8S2
  • Average mass722.903 Da
  • Monoisotopic mass722.289917 Da
  • ChemSpider ID28289651

  • Charge - Charge

    defined stereocentres - 7 of 7 defined stereocentres

More details:

Featured data source
Natural Product Updates

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

1,4-Benzenediol, 2-[[(1R,2R,4aS,8aS)-decahydro-1,2-dimethyl-5-methylene-4a-[2-[(1R,2S,8aS)-1,2,3,5,6,7,8,8a-octahydro-1,2,5,5-tetramethyl-1-naphthalenyl]ethyl]-1-naphthalenyl]methyl]-, bis(hydrogen su lfate), sodium salt (1:2) [ACD/Index Name]
Bissulfate de disodium et de 2-{[(1R,2R,4aS,8aS)-1,2-diméthyl-5-méthylène-4a-{2-[(1R,2S,8aS)-1,2,5,5-tétraméthyl-1,2,3,5,6,7,8,8a-octahydro-1-naphtalényl]éthyl}décahydro-1-naphtalényl]méthyl}-1,4-phén ylène [French] [ACD/IUPAC Name]
Dinatrium-2-{[(1R,2R,4aS,8aS)-1,2-dimethyl-5-methylen-4a-{2-[(1R,2S,8aS)-1,2,5,5-tetramethyl-1,2,3,5,6,7,8,8a-octahydro-1-naphthalinyl]ethyl}decahydro-1-naphthalinyl]methyl}-1,4-phenylendisulfat [German] [ACD/IUPAC Name]
Disodium 2-{[(1R,2R,4aS,8aS)-1,2-dimethyl-5-methylene-4a-{2-[(1R,2S,8aS)-1,2,5,5-tetramethyl-1,2,3,5,6,7,8,8a-octahydro-1-naphthalenyl]ethyl}decahydro-1-naphthalenyl]methyl}-1,4-phenylene disulfate [ACD/IUPAC Name]
(+)-akaterpin

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

Density:
Boiling Point:
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Enthalpy of Vaporization:
Flash Point:
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 13
#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: 122 Å2
Polarizability:
Surface Tension:
Molar Volume:

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