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 (5R)-3-(2-aminoethyl)-2,3-dideoxy-5-methyl-beta-L-erythro-pentopyranoside | C29H33NO10

(1S,3S)-3-Acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydro-1-tetracenyl (5R)-3-(2-aminoethyl)-2,3-dideoxy-5-methyl-β-L-erythro-pentopyranoside

  • Molecular FormulaC29H33NO10
  • Average mass555.573 Da
  • Monoisotopic mass555.210449 Da
  • ChemSpider ID131928

  • 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 (5R)-3-(2-aminoethyl)-2,3-dideoxy-5-methyl-β-L-erythro-pentopyranoside [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-(5R)-3-(2-aminoethyl)-2,3-didesoxy-5-methyl-β-L-erythro-pentopyranosid [German] [ACD/IUPAC Name]
(5R)-3-(2-Aminoéthyl)-2,3-didésoxy-5-méthyl-β-L-érythro-pentopyranoside 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-[[(5R)-3-(2-aminoethyl)-2,3-dideoxy-5-C-methyl-β-L-erythro-pentopyranosyl]oxy]-7,8,9,10-tetrahydro-6,8,11-trihydroxy-1-methoxy-, (8S,10S)- [ACD/Index Name]
(8S,10S)-8-acetyl-10-{[(2S,4R,5R,6R)-4-(2-aminoethyl)-5-hydroxy-6-methyloxan-2-yl]oxy}-6,8,11-trihydroxy-1-methoxy-5,7,8,9,10,12-hexahydrotetracene-5,12-dione
(8S,10S)-8-acetyl-10-{[(2S,4R,5R,6R)-4-(2-aminoethyl)-5-hydroxy-6-methyloxan-2-yl]oxy}-6,8,11-trihydroxy-1-methoxy-9,10-dihydro-7H-tetracene-5,12-dione
105344-39-6 [RN]
5,12-Naphthacenedione, 8-acetyl-10-((4-(2-aminoethyl)tetrahydro-5-hydroxy-6-methyl-2H-pyran-2-yl)oxy)-7,8,9,10-tetrahydro-6,8,11-trihydroxy-1-methoxy-, (2R-(2α(8S*,10S*),4β,5β,6β))-
5,12-NAPHTHACENEDIONE,8-ACETYL-10-[[4-(2-AMINOETHYL)TETRAHYDRO-5-HYDROXY-6-METHYL-2H-PYRAN-2-YL]OXY]-7,8,9,10-TETRAHYDRO-6,8,11-TRIHYDROXY-1-METHOXY-,[2R-[2A(8S*,10S*),4B,5B,6B]]- (9CI)
8-Acetyl-10-((4-(2-aminoethyl)tetrahydro-5-hydroxy-6-methyl-2H-pyran-2-yl)oxy)-7,8,9,10-tetrahydro-6,8,11-trihydroxy-1-methoxy-5,12-naphthacenedione (2R-(2α(8S*,10S*),4β,5β,6β))-

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

Density: 1.5±0.1 g/cm3
Boiling Point: 783.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 119.5±3.0 kJ/mol
Flash Point: 427.5±32.9 °C
Index of Refraction: 1.673
Molar Refractivity: 139.2±0.4 cm3
#H bond acceptors: 11
#H bond donors: 6
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 3
ACD/LogP: 2.77
ACD/LogD (pH 5.5): -1.10
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.60
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 186 Å2
Polarizability: 55.2±0.5 10-24cm3
Surface Tension: 82.0±5.0 dyne/cm
Molar Volume: 371.5±5.0 cm3

Click to predict properties on the Chemicalize site


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