ChemSpider 2D Image | (1S,3S)-3-Glycoloyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydro-1-tetracenyl 3-({N~2~-[(2S)-2-{[(4R)-1-(4-carboxybutanoyl)-4-hydroxy-L-prolyl-L-alanyl-L-seryl]amino}-2-cyclohexylace tyl]-L-glutaminyl-L-seryl-L-leucyl}amino)-2,3,6-trideoxy-alpha-L-lyxo-hexopyranoside | C65H89N9O25

(1S,3S)-3-Glycoloyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydro-1-tetracenyl 3-({N2-[(2S)-2-{[(4R)-1-(4-carboxybutanoyl)-4-hydroxy-L-prolyl-L-alanyl-L-seryl]amino}-2-cyclohexylace tyl]-L-glutaminyl-L-seryl-L-leucyl}amino)-2,3,6-trideoxy-α-L-lyxo-hexopyranoside

  • Molecular FormulaC65H89N9O25
  • Average mass1396.448 Da
  • Monoisotopic mass1395.596924 Da
  • ChemSpider ID8030985

  • defined stereocentres - 14 of 14 defined stereocentres

More details:

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

(1S,3S)-3-Glycoloyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydro-1-tetracenyl 3-({N2-[(2S)-2-{[(4R)-1-(4-carboxybutanoyl)-4-hydroxy-L-prolyl-L-alanyl-L-seryl]amino}-2-cyclohexylace tyl]-L-glutaminyl-L-seryl-L-leucyl}amino)-2,3,6-trideoxy-α-L-lyxo-hexopyranoside [ACD/IUPAC Name]
(1S,3S)-3-Glycoloyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydro-1-tetracenyl-3-({N2-[(2S)-2-{[(4R)-1-(4-carboxybutanoyl)-4-hydroxy-L-prolyl-L-alanyl-L-seryl]amino}-2-cyclohexylace tyl]-L-glutaminyl-L-seryl-L-leucyl}amino)-2,3,6-tridesoxy-α-L-lyxo-hexopyranosid [German] [ACD/IUPAC Name]
207395-85-5 [RN]
3-({N2-[(2S)-2-{[(4R)-1-(4-Carboxybutanoyl)-4-hydroxy-L-prolyl-L-alanyl-L-séryl]amino}-2-cyclohexylacétyl]-L-glutaminyl-L-séryl-L-leucyl}amino)-2,3,6-tridésoxy-α-L-lyxo-hexopyranoside de (1S,3S)
 -3,5,12-trihydroxy-3-(2-hydroxyacétyl)-10-méthoxy-6,11-dioxo-1,2,3,4,6,11-hexahydro-1-tétracényle [French] [ACD/IUPAC Name]
α-L-lyxo-Hexopyranoside, (1S,3S)-1,2,3,4,6,11-hexahydro-3,5,12-trihydroxy-3-(2-hydroxyacetyl)-10-methoxy-6,11-dioxo-1-naphthacenyl 3-[[N2-[(2S)-2-[[(2S)-2-[[(2S)-2-[[[(2S,4R)-1-(4-carboxy-1-oxob utyl)-4-hydroxy-2-pyrrolidinyl]carbonyl]amino]-1-oxopropyl]amino]-3-hydroxy-1-oxopropyl]amino]-2-cyclohexylacetyl]-L-glutaminyl-L-seryl-L-leucyl]amino]-2,3,6-trideoxy- [ACD/Index Name]
L 377202
L-377202

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

VDXVABRQTV [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: 1708.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 284.3±3.0 kJ/mol
Flash Point: 986.7±34.3 °C
Index of Refraction: 1.658
Molar Refractivity: 339.9±0.4 cm3
#H bond acceptors: 34
#H bond donors: 18
#Freely Rotating Bonds: 31
#Rule of 5 Violations: 3
ACD/LogP: 1.12
ACD/LogD (pH 5.5): -1.48
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.48
ACD/LogD (pH 7.4): -3.62
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 545 Å2
Polarizability: 134.8±0.5 10-24cm3
Surface Tension: 89.9±5.0 dyne/cm
Molar Volume: 923.1±5.0 cm3

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