Found 1 result

Search term: DNLPVXFQHZAMAQ-GXTHVBTJSA-N (Found by InChIKey (skeleton match))

ChemSpider 2D Image | (2beta,3alpha,5alpha,8xi,9xi,14xi,16beta,24xi)-16,20-Dihydroxy-28-methyl-24,26-cyclostigmastane-2,3-diyl bis(hydrogen sulfate) | C30H52O10S2

(2β,3α,5α,8ξ,9ξ,14ξ,16β,24ξ)-16,20-Dihydroxy-28-methyl-24,26-cyclostigmastane-2,3-diyl bis(hydrogen sulfate)

  • Molecular FormulaC30H52O10S2
  • Average mass636.858 Da
  • Monoisotopic mass636.300171 Da
  • ChemSpider ID398879
  • defined stereocentres - 7 of 13 defined stereocentres

More details:

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

(2β,3α,5α,8ξ,9ξ,14ξ,16β,24ξ)-16,20-Dihydroxy-28-methyl-24,26-cyclostigmastan-2,3-diylbis(hydrogensulfat) [German] [ACD/IUPAC Name]
(2β,3α,5α,8ξ,9ξ,14ξ,16β,24ξ)-16,20-Dihydroxy-28-methyl-24,26-cyclostigmastane-2,3-diyl bis(hydrogen sulfate) [ACD/IUPAC Name]
24,26-Cyclostigmastane-2,3,16,20-tetrol, 28-methyl-, 2,3-bis(hydrogen sulfate), (2β,3α,5α,8ξ,9ξ,14ξ,16β,24ξ)- [ACD/Index Name]
Bis(hydrogénosulfate) de (2β,3α,5α,8ξ,9ξ,14ξ,16β,24ξ)-16,20-dihydroxy-28-méthyl-24,26-cyclostigmastane-2,3-diyle [French] [ACD/IUPAC Name]
134515-53-0 [RN]
24-Norcholane-2,3,16,20-tetrol, 23-(2-methyl-1-(1-methylethyl)cyclopropyl)-, 2,3-bis(hydrogen sulfate), (2β,3α,5α,16β,20ξ)-
24-Norcholane-2,3,16,20-tetrol, 23-[2-methyl-1-(1-methylethyl)cyclopropyl]-, 2,3-bis(hydrogen sulfate), (2β,3α,5α,16β,20ξ)-
Sterol HB99

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

AIDS002456 [DBID]
AIDS-002456 [DBID]

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.584
Molar Refractivity: 157.8±0.4 cm3
#H bond acceptors: 10
#H bond donors: 4
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 3
ACD/LogP: 6.18
ACD/LogD (pH 5.5): -1.91
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.91
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 184 Å2
Polarizability: 62.6±0.5 10-24cm3
Surface Tension: 60.8±5.0 dyne/cm
Molar Volume: 471.7±5.0 cm3

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