ChemSpider 2D Image | Zorubicin | C34H35N3O10

Zorubicin

  • Molecular FormulaC34H35N3O10
  • Average mass645.656 Da
  • Monoisotopic mass645.232239 Da
  • ChemSpider ID7869436

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(2S-cis)-Benzoic Acid [1-[4-[(3-Amino-2,3,6-trideoxy-a-L-lyxo-hexopyranosyl)oxy]-1,2,3,4,6,11-hexahydro-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-2-napthacenyl]ethylidene]hydrazide
253-076-4 [EINECS]
36508-71-1 [RN]
54083-22-6 [RN]
Benzoic Acid Hydrazide 3-Hydrazone with Daunorubicin
benzoic acid, [(1E)-1-[(2S,4S)-4-[(3-amino-2,3,6-trideoxy-α-L-lyxo-hexopyranosyl)oxy]-1,2,3,4,6,11-hexahydro-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-2-naphthacenyl]ethylidene]hydrazide
Benzoic acid, 2-[(1E)-1-[(2S,4S)-4-[(3-amino-2,3,6-trideoxy-α-L-lyxo-hexopyranosyl)oxy]-1,2,3,4,6,11-hexahydro-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-2-naphthacenyl]ethylidene]hydrazide [ACD/Index Name]
N'-[(1E)-1-{(2S,4S)-4-[(3-Amino-2,3,6-trideoxy-α-L-lyxo-hexopyranosyl)oxy]-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydro-2-tetracenyl}ethylidene]benzohydrazide [ACD/IUPAC Name]
N'-[(1E)-1-{(2S,4S)-4-[(3-Amino-2,3,6-trideoxy-α-L-lyxo-hexopyranosyl)oxy]-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-2-yl}ethylidene]benzohydrazide
N'-[(1E)-1-{(2S,4S)-4-[(3-Amino-2,3,6-tridesoxy-α-L-lyxo-hexopyranosyl)oxy]-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydro-2-tetracenyl}ethyliden]benzohydrazid [German] [ACD/IUPAC Name]
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

RP 22050 [DBID]

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

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.705
Molar Refractivity: 162.1±0.5 cm3
#H bond acceptors: 13
#H bond donors: 7
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 3
ACD/LogP: 4.11
ACD/LogD (pH 5.5): -0.07
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.15
ACD/LogD (pH 7.4): 1.04
ACD/BCF (pH 7.4): 1.42
ACD/KOC (pH 7.4): 14.74
Polar Surface Area: 210 Å2
Polarizability: 64.3±0.5 10-24cm3
Surface Tension: 63.0±7.0 dyne/cm
Molar Volume: 416.9±7.0 cm3

Click to predict properties on the Chemicalize site


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