Found 10 results

Search term: MF = 'C_{33}H_{37}NO_{12}'
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-{[(2E)-4-ethoxy-4-oxo-2-buten-2-yl]amino}-alpha-L-lyxo-hexopyranoside | C33H37NO12

(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-{[(2E)-4-ethoxy-4-oxo-2-buten-2-yl]amino}-α-L-lyxo-hexopyranoside

  • Molecular FormulaC33H37NO12
  • Average mass639.646 Da
  • Monoisotopic mass639.231567 Da
  • ChemSpider ID4951148

  • 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

(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-{[(2E)-4-ethoxy-4-oxo-2-buten-2-yl]amino}-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-{[(2E)-4-ethoxy-4-oxo-2-buten-2-yl]amino}-α-L-lyxo-hexopyranosid [German] [ACD/IUPAC Name]
2,3,6-Tridésoxy-3-{[(2E)-4-éthoxy-4-oxo-2-butén-2-yl]amino}-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]
α-L-lyxo-Hexopyranoside, (1S,3S)-3-acetyl-1,2,3,4,6,11-hexahydro-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-1-naphthacenyl 2,3,6-trideoxy-3-[[(1E)-3-ethoxy-1-methyl-3-oxo-1-propen-1-yl]amino]- [ACD/Index Name]
107701-62-2 [RN]
N-(1-Carboethoxy-propen-1-yl-2)-daunorubicin

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

DR-19 [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: 841.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.3 mmHg at 25°C
Enthalpy of Vaporization: 128.1±3.0 kJ/mol
Flash Point: 462.5±34.3 °C
Index of Refraction: 1.653
Molar Refractivity: 159.3±0.4 cm3
#H bond acceptors: 13
#H bond donors: 5
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 3
ACD/LogP: 4.38
ACD/LogD (pH 5.5): 3.34
ACD/BCF (pH 5.5): 200.95
ACD/KOC (pH 5.5): 1527.99
ACD/LogD (pH 7.4): 2.88
ACD/BCF (pH 7.4): 69.71
ACD/KOC (pH 7.4): 530.04
Polar Surface Area: 198 Å2
Polarizability: 63.2±0.5 10-24cm3
Surface Tension: 76.1±5.0 dyne/cm
Molar Volume: 435.5±5.0 cm3

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