ChemSpider 2D Image | 3-{[(2-{[(5R,6R,8R)-8-Hydroxy-7-(hydroxymethyl)-5-(3,4,5-trimethoxyphenyl)-5,6,7,8-tetrahydronaphtho[2,3-d][1,3]dioxol-6-yl]carbonyl}hydrazino)carbonyl]amino}-2,2,5,5-tetramethyl-2,5-dihydro-1H-pyrrol -1-olate | C31H39N4O10

3-{[(2-{[(5R,6R,8R)-8-Hydroxy-7-(hydroxymethyl)-5-(3,4,5-trimethoxyphenyl)-5,6,7,8-tetrahydronaphtho[2,3-d][1,3]dioxol-6-yl]carbonyl}hydrazino)carbonyl]amino}-2,2,5,5-tetramethyl-2,5-dihydro-1H-pyrrol -1-olate

  • Molecular FormulaC31H39N4O10
  • Average mass627.663 Da
  • Monoisotopic mass627.267151 Da
  • ChemSpider ID2342918

  • Charge - Charge

    defined stereocentres - 3 of 4 defined stereocentres

More details:

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

3-{[(2-{[(5R,6R,8R)-8-Hydroxy-7-(hydroxymethyl)-5-(3,4,5-trimethoxyphenyl)-5,6,7,8-tetrahydronaphtho[2,3-d][1,3]dioxol-6-yl]carbonyl}hydrazino)carbonyl]amino}-2,2,5,5-tetramethyl-2,5-dihydro-1H-pyrrol -1-olat [German] [ACD/IUPAC Name]
3-{[(2-{[(5R,6R,8R)-8-Hydroxy-7-(hydroxymethyl)-5-(3,4,5-trimethoxyphenyl)-5,6,7,8-tetrahydronaphtho[2,3-d][1,3]dioxol-6-yl]carbonyl}hydrazino)carbonyl]amino}-2,2,5,5-tetramethyl-2,5-dihydro-1H-pyrrol -1-olate [ACD/IUPAC Name]
3-{[(2-{[(5R,6R,8R)-8-Hydroxy-7-(hydroxyméthyl)-5-(3,4,5-triméthoxyphényl)-5,6,7,8-tétrahydronaphto[2,3-d][1,3]dioxol-6-yl]carbonyl}hydrazino)carbonyl]amino}-2,2,5,5-tétraméthyl-2,5-dihydro-1H-pyrrol- 1-olate [French] [ACD/IUPAC Name]
Naphtho[2,3-d]-1,3-dioxole-6-carboxylic acid, 5,6,7,8-tetrahydro-8-hydroxy-7-(hydroxymethyl)-5-(3,4,5-trimethoxyphenyl)-, 2-[[(2,5-dihydro-1-hydroxy-2,2,5,5-tetramethyl-1H-pyrrol-3-yl)amino]carbonyl]h ydrazide, ion(1-), (5R,6R,8R)- [ACD/Index Name]
87435-55-0 [RN]
N'-Podophyllic acid-N-(3-(2,2,5,5-tetramethylpyrrolinenyloxy))semicarbazide

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

GP 11 [DBID]
GP-11 [DBID]

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

Density:
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 14
#H bond donors: 6
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: 1.65
ACD/LogD (pH 5.5): 0.97
ACD/BCF (pH 5.5): 3.21
ACD/KOC (pH 5.5): 79.42
ACD/LogD (pH 7.4): 0.98
ACD/BCF (pH 7.4): 3.29
ACD/KOC (pH 7.4): 81.46
Polar Surface Area: 183 Å2
Polarizability:
Surface Tension:
Molar Volume:

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