Found 12 results

Search term: C49H74N10O12 (Found by molecular formula)
ChemSpider 2D Image | (3E,5S,6E,8S,9E,11R,12S,13E,15S,16E,18S,19S,22R)-15-(3-Carbamimidamidopropyl)-3,6,9,13,16-pentahydroxy-18-[(1E,3E,5S,6S)-6-hydroxy-3,5-dimethyl-7-phenyl-1,3-heptadien-1-yl]-8-isobutyl-1,5,12,19,21-pen tamethyl-2-methylene-20,25-dioxo-1,4,7,10,14,17,21-heptaazacyclopentacosa-3,6,9,13,16-pentaene-11,22-dicarboxylic acid | C49H74N10O12

(3E,5S,6E,8S,9E,11R,12S,13E,15S,16E,18S,19S,22R)-15-(3-Carbamimidamidopropyl)-3,6,9,13,16-pentahydroxy-18-[(1E,3E,5S,6S)-6-hydroxy-3,5-dimethyl-7-phenyl-1,3-heptadien-1-yl]-8-isobutyl-1,5,12,19,21-pen tamethyl-2-methylene-20,25-dioxo-1,4,7,10,14,17,21-heptaazacyclopentacosa-3,6,9,13,16-pentaene-11,22-dicarboxylic acid

  • Molecular FormulaC49H74N10O12
  • Average mass995.172 Da
  • Monoisotopic mass994.548767 Da
  • ChemSpider ID57643582

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 10 of 10 defined stereocentres

More details:

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

(3E,5S,6E,8S,9E,11R,12S,13E,15S,16E,18S,19S,22R)-15-(3-Carbamimidamidopropyl)-3,6,9,13,16-pentahydroxy-18-[(1E,3E,5S,6S)-6-hydroxy-3,5-dimethyl-7-phenyl-1,3-heptadien-1-yl]-8-isobutyl-1,5,12,19,21-pen tamethyl-2-methylen-20,25-dioxo-1,4,7,10,14,17,21-heptaazacyclopentacosa-3,6,9,13,16-pentaen-11,22-dicarbonsäure [German] [ACD/IUPAC Name]
(3E,5S,6E,8S,9E,11R,12S,13E,15S,16E,18S,19S,22R)-15-(3-Carbamimidamidopropyl)-3,6,9,13,16-pentahydroxy-18-[(1E,3E,5S,6S)-6-hydroxy-3,5-dimethyl-7-phenyl-1,3-heptadien-1-yl]-8-isobutyl-1,5,12,19,21-pen tamethyl-2-methylene-20,25-dioxo-1,4,7,10,14,17,21-heptaazacyclopentacosa-3,6,9,13,16-pentaene-11,22-dicarboxylic acid [ACD/IUPAC Name]
1,4,7,10,14,17,21-Heptaazacyclopentacosa-3,6,9,13,16-pentaene-11,22-dicarboxylic acid, 15-[3-[(aminoiminomethyl)amino]propyl]-3,6,9,13,16-pentahydroxy-18-[(1E,3E,5S,6S)-6-hydroxy-3,5-dimethyl-7-phenyl -1,3-heptadien-1-yl]-1,5,12,19,21-pentamethyl-2-methylene-8-(2-methylpropyl)-20,25-dioxo-, (3E,5S,6E,8S,9E,11R,12S,13E,15S,16E,18S,19S,22R)- [ACD/Index Name]
Acide (3E,5S,6E,8S,9E,11R,12S,13E,15S,16E,18S,19S,22R)-15-(3-carbamimidamidopropyl)-3,6,9,13,16-pentahydroxy-18-[(1E,3E,5S,6S)-6-hydroxy-3,5-diméthyl-7-phényl-1,3-heptadién-1-yl]-8-isobutyl-1,5,12,19, 21-pentaméthyl-2-méthylène-20,25-dioxo-1,4,7,10,14,17,21-heptaazacyclopentacosa-3,6,9,13,16-pentaène-11,22-dicarboxylique [French] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 1210.2±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 188.2±3.0 kJ/mol
Flash Point: 685.7±37.1 °C
Index of Refraction: 1.602
Molar Refractivity: 261.7±0.5 cm3
#H bond acceptors: 22
#H bond donors: 12
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 3
ACD/LogP: -0.73
ACD/LogD (pH 5.5): -4.65
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.96
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 360 Å2
Polarizability: 103.8±0.5 10-24cm3
Surface Tension: 50.2±7.0 dyne/cm
Molar Volume: 762.9±7.0 cm3

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