Found 20 results

Search term: MF = 'C_{31}H_{33}N_{3}O_{11}'
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-[4-(2-hydroxyethyl)-1H-1,2,3-triazol-1-yl]-alpha-L-lyxo-hexopyranoside | C31H33N3O11

(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-[4-(2-hydroxyethyl)-1H-1,2,3-triazol-1-yl]-α-L-lyxo-hexopyranoside

  • Molecular FormulaC31H33N3O11
  • Average mass623.607 Da
  • Monoisotopic mass623.211487 Da
  • ChemSpider ID9789017

  • 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-[4-(2-hydroxyethyl)-1H-1,2,3-triazol-1-yl]-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-[4-(2-hydroxyethyl)-1H-1,2,3-triazol-1-yl]-α-L-lyxo-hexopyranosid [German] [ACD/IUPAC Name]
(1S,3S)-3-acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl 2,3,6-trideoxy-3-[4-(2-hydroxyethyl)-1H-1,2,3-triazol-1-yl]-α-L-lyxo-hexopyranoside
2,3,6-Tridésoxy-3-[4-(2-hydroxyéthyl)-1H-1,2,3-triazol-1-yl]-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-7,8,9,10-tetrahydro-6,8,11-trihydroxy-1-methoxy-10-[[2,3,6-trideoxy-3-[4-(2-hydroxyethyl)-1H-1,2,3-triazol-1-yl]-α-L-lyxo-hexopyranosyl]oxy]-, (8S,10S)- [ACD/Index Name]
7-[3-[4-(2-Hydroxyethyl)-[1,2,3]triazol-1-yl]-2,3,6-trideoxy-r-L-lyxo-hexopyranosyl]daunorubicinone
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL370018/

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

Density: 1.6±0.1 g/cm3
Boiling Point: 892.1±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 135.9±3.0 kJ/mol
Flash Point: 493.3±37.1 °C
Index of Refraction: 1.726
Molar Refractivity: 151.1±0.5 cm3
#H bond acceptors: 14
#H bond donors: 5
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 3
ACD/LogP: 2.32
ACD/LogD (pH 5.5): 2.13
ACD/BCF (pH 5.5): 24.22
ACD/KOC (pH 5.5): 338.46
ACD/LogD (pH 7.4): 1.66
ACD/BCF (pH 7.4): 8.20
ACD/KOC (pH 7.4): 114.55
Polar Surface Area: 211 Å2
Polarizability: 59.9±0.5 10-24cm3
Surface Tension: 68.0±7.0 dyne/cm
Molar Volume: 380.1±7.0 cm3

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