Found 1 result

Search term: 78442898 (Found by CSID)
ChemSpider 2D Image | (2S)-2-({[(5S,6S)-5-{[(2S,3R,4S,5R,6R)-3,4-Dihydroxy-6-methyl-5-(methylamino)tetrahydro-2H-pyran-2-yl]oxy}-1,6,9,14-tetrahydroxy-11-methoxy-3-methyl-8,13-dioxo-5,6,8,13-tetrahydrobenzo[a]tetracen-2-yl ]carbonyl}amino)-3-hydroxypropanoic acid (non-preferred name) | C35H36N2O15

(2S)-2-({[(5S,6S)-5-{[(2S,3R,4S,5R,6R)-3,4-Dihydroxy-6-methyl-5-(methylamino)tetrahydro-2H-pyran-2-yl]oxy}-1,6,9,14-tetrahydroxy-11-methoxy-3-methyl-8,13-dioxo-5,6,8,13-tetrahydrobenzo[a]tetracen-2-yl ]carbonyl}amino)-3-hydroxypropanoic acid (non-preferred name)

  • Molecular FormulaC35H36N2O15
  • Average mass724.665 Da
  • Monoisotopic mass724.211548 Da
  • ChemSpider ID78442898

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(2S)-2-({[(5S,6S)-5-{[(2S,3R,4S,5R,6R)-3,4-Dihydroxy-6-methyl-5-(methylamino)tetrahydro-2H-pyran-2-yl]oxy}-1,6,9,14-tetrahydroxy-11-methoxy-3-methyl-8,13-dioxo-5,6,8,13-tetrahydrobenzo[a]tetracen-2-yl ]carbonyl}amino)-3-hydroxypropanoic acid (non-preferred name) [ACD/IUPAC Name]
(2S)-2-({[(5S,6S)-5-{[(2S,3R,4S,5R,6R)-3,4-Dihydroxy-6-methyl-5-(methylamino)tetrahydro-2H-pyran-2-yl]oxy}-1,6,9,14-tetrahydroxy-11-methoxy-3-methyl-8,13-dioxo-5,6,8,13-tetrahydrobenzo[a]tetracen-2-yl ]carbonyl}amino)-3-hydroxypropansäure (non-preferred name) [German] [ACD/IUPAC Name]
Acide (2S)-2-({[(5S,6S)-5-{[(2S,3R,4S,5R,6R)-3,4-dihydroxy-6-méthyl-5-(méthylamino)tétrahydro-2H-pyran-2-yl]oxy}-1,6,9,14-tétrahydroxy-11-méthoxy-3-méthyl-8,13-dioxo-5,6,8,13-tétrahydrobenzo[a]tétracé n-2-yl]carbonyl}amino)-3-hydroxypropanoïque (non-preferred name) [French] [ACD/IUPAC Name]
β-D-Galactopyranoside, (5S,6S)-2-[[[(1S)-1-carboxy-2-hydroxyethyl]amino]carbonyl]-5,6,8,13-tetrahydro-1,6,9,14-tetrahydroxy-11-methoxy-3-methyl-8,13-dioxobenzo[a]naphthacen-5-yl 4,6-dideoxy-4-(meth ylamino)- [ACD/Index Name]
Pradimicin FB

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

Density: 1.7±0.1 g/cm3
Boiling Point: 1053.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 161.5±3.0 kJ/mol
Flash Point: 590.9±34.3 °C
Index of Refraction: 1.752
Molar Refractivity: 173.8±0.4 cm3
#H bond acceptors: 17
#H bond donors: 10
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: 4.12
ACD/LogD (pH 5.5): -0.72
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.84
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 282 Å2
Polarizability: 68.9±0.5 10-24cm3
Surface Tension: 111.0±5.0 dyne/cm
Molar Volume: 425.8±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement