ChemSpider 2D Image | (1S,3S)-3-Acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydro-1-tetracenyl 2,3,6-trideoxy-3-(D-leucylamino)-alpha-L-lyxo-hexopyranoside | C33H40N2O11

(1S,3S)-3-Acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydro-1-tetracenyl 2,3,6-trideoxy-3-(D-leucylamino)-α-L-lyxo-hexopyranoside

  • Molecular FormulaC33H40N2O11
  • Average mass640.677 Da
  • Monoisotopic mass640.263184 Da
  • ChemSpider ID141804

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

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

(1S,3S)-3-Acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydro-1-tetracenyl 2,3,6-trideoxy-3-(D-leucylamino)-α-L-lyxo-hexopyranoside [ACD/IUPAC Name]
(1S,3S)-3-Acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydro-1-tetracenyl-2,3,6-tridesoxy-3-(D-leucylamino)-α-L-lyxo-hexopyranosid [German] [ACD/IUPAC Name]
2,3,6-Tridésoxy-3-(D-leucylamino)-α-L-lyxo-hexopyranoside de (1S,3S)-3-acétyl-3,5,12-trihydroxy-10-méthoxy-6,11-dioxo-1,2,3,4,6,11-hexahydro-1-tétracényle [French] [ACD/IUPAC Name]
5,12-Naphthacenedione, 8-acetyl-10-[[3-[[(2R)-2-amino-4-methyl-1-oxopentyl]amino]-2,3,6-trideoxy-α-L-lyxo-hexopyranosyl]oxy]-7,8,9,10-tetrahydro-6,8,11-trihydroxy-1-methoxy-, (8S,10S)- [ACD/Index Name]
(2R)-N-[(2S,3S,4S,6R)-6-{[(1S,3S)-3-ACETYL-3,5,12-TRIHYDROXY-10-METHOXY-6,11-DIOXO-1,2,3,4,6,11-HEXAHYDROTETRACEN-1-YL]OXY}-3-HYDROXY-2-METHYLOXAN-4-YL]-2-AMINO-4-METHYLPENTANAMIDE
(2R)-N-[(2S,3S,4S,6R)-6-{[(1S,3S)-3-ACETYL-3,5,12-TRIHYDROXY-10-METHOXY-6,11-DIOXO-2,4-DIHYDRO-1H-TETRACEN-1-YL]OXY}-3-HYDROXY-2-METHYLOXAN-4-YL]-2-AMINO-4-METHYLPENTANAMIDE
23828-86-6 [RN]
5,12-Naphthacenedione, 8-acetyl-10-((3-((2-amino-4-methyl-1-oxopentyl)amino)-2,3,6-trideoxy-α-L-lyxo-hexopyranosyl)oxy)-7,8,9,10-tetrahydro-6,8,11-trihydroxy-1-methoxy-, (8S-(8α,10α(S*)))-
N-Leucyldaunorubicin

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

RP 20132 [DBID]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 880.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 134.1±3.0 kJ/mol
Flash Point: 486.5±34.3 °C
Index of Refraction: 1.653
Molar Refractivity: 161.5±0.4 cm3
#H bond acceptors: 13
#H bond donors: 7
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: 3.54
ACD/LogD (pH 5.5): -0.34
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.18
ACD/LogD (pH 7.4): 0.90
ACD/BCF (pH 7.4): 1.45
ACD/KOC (pH 7.4): 20.33
Polar Surface Area: 215 Å2
Polarizability: 64.0±0.5 10-24cm3
Surface Tension: 77.3±5.0 dyne/cm
Molar Volume: 441.0±5.0 cm3

Click to predict properties on the Chemicalize site


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