ChemSpider 2D Image | (1S,3S)-3-Acetyl-3,5,10,12-tetrahydroxy-6,11-dioxo-1,2,3,4,6,11-hexahydro-1-tetracenyl 3-amino-2,3,6-trideoxy-4-O-[(3S)-3-hydroxy-1-{[(2S)-1-oxo-2-propanyl]oxy}butyl]-alpha-L-lyxo-hexopyranoside | C33H39NO13

(1S,3S)-3-Acetyl-3,5,10,12-tetrahydroxy-6,11-dioxo-1,2,3,4,6,11-hexahydro-1-tetracenyl 3-amino-2,3,6-trideoxy-4-O-[(3S)-3-hydroxy-1-{[(2S)-1-oxo-2-propanyl]oxy}butyl]-α-L-lyxo-hexopyranoside

  • Molecular FormulaC33H39NO13
  • Average mass657.662 Da
  • Monoisotopic mass657.242126 Da
  • ChemSpider ID2343084

  • defined stereocentres - 8 of 9 defined stereocentres

More details:

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

(1S,3S)-3-Acetyl-3,5,10,12-tetrahydroxy-6,11-dioxo-1,2,3,4,6,11-hexahydro-1-tetracenyl 3-amino-2,3,6-trideoxy-4-O-[(3S)-3-hydroxy-1-{[(2S)-1-oxo-2-propanyl]oxy}butyl]-α-L-lyxo-hexopyranoside [ACD/IUPAC Name]
(1S,3S)-3-Acetyl-3,5,10,12-tetrahydroxy-6,11-dioxo-1,2,3,4,6,11-hexahydro-1-tetracenyl-3-amino-2,3,6-tridesoxy-4-O-[(3S)-3-hydroxy-1-{[(2S)-1-oxo-2-propanyl]oxy}butyl]-α-L-lyxo-hexopyranosid [German] [ACD/IUPAC Name]
3-Amino-2,3,6-tridésoxy-4-O-[(3S)-3-hydroxy-1-{[(2S)-1-oxo-2-propanyl]oxy}butyl]-α-L-lyxo-hexopyranoside de (1S,3S)-3-acétyl-3,5,10,12-tétrahydroxy-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-3,5,10,12-tetrahydroxy-6,11-dioxo-1-naphthacenyl 3-amino-2,3,6-trideoxy-4-O-[(3S)-3-hydroxy-1-[(1S)-1-methyl-2-oxoethoxy]butyl]- [ACD/Index Name]
(2S)-2-[(3S)-1-{[(2S,3S,4S,6R)-6-{[(1S,3S)-3-ACETYL-3,5,10,12-TETRAHYDROXY-6,11-DIOXO-1,2,3,4,6,11-HEXAHYDROTETRACEN-1-YL]OXY}-4-AMINO-2-METHYLOXAN-3-YL]OXY}-3-HYDROXYBUTOXY]PROPANAL
(2S)-2-[(3S)-1-{[(2S,3S,4S,6R)-6-{[(1S,3S)-3-ACETYL-3,5,10,12-TETRAHYDROXY-6,11-DIOXO-2,4-DIHYDRO-1H-TETRACEN-1-YL]OXY}-4-AMINO-2-METHYLOXAN-3-YL]OXY}-3-HYDROXYBUTOXY]PROPANAL
100753-80-8 [RN]
ANTIBIOTIC SN 07 (9CI)
Antibiotic SN-07

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

CCRIS 3403 [DBID]
SN-07 [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: 856.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 130.4±3.0 kJ/mol
Flash Point: 471.6±34.3 °C
Index of Refraction: 1.659
Molar Refractivity: 161.3±0.4 cm3
#H bond acceptors: 14
#H bond donors: 7
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 3
ACD/LogP: 4.99
ACD/LogD (pH 5.5): 0.17
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.79
ACD/LogD (pH 7.4): 0.54
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 4.15
Polar Surface Area: 232 Å2
Polarizability: 64.0±0.5 10-24cm3
Surface Tension: 82.5±5.0 dyne/cm
Molar Volume: 437.5±5.0 cm3

Click to predict properties on the Chemicalize site


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