ChemSpider 2D Image | (4E,6Z,8S,9S,10E,12S,13R,14S,16R)-13-Hydroxy-23-(2-hydroxy-2-propanyl)-8,14-dimethoxy-4,10,12,16-tetramethyl-3,25-dioxo-20,22-dioxa-2-azatricyclo[16.6.1.0~19,23~]pentacosa-1(24),4,6,10,18-pentaen-9-yl carbamate | C32H46N2O10

(4E,6Z,8S,9S,10E,12S,13R,14S,16R)-13-Hydroxy-23-(2-hydroxy-2-propanyl)-8,14-dimethoxy-4,10,12,16-tetramethyl-3,25-dioxo-20,22-dioxa-2-azatricyclo[16.6.1.019,23]pentacosa-1(24),4,6,10,18-pentaen-9-yl carbamate

  • Molecular FormulaC32H46N2O10
  • Average mass618.715 Da
  • Monoisotopic mass618.315247 Da
  • ChemSpider ID20580534

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 6 of 7 defined stereocentres

More details:

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(4E,6Z,8S,9S,10E,12S,13R,14S,16R)-13-Hydroxy-23-(2-hydroxy-2-propanyl)-8,14-dimethoxy-4,10,12,16-tetramethyl-3,25-dioxo-20,22-dioxa-2-azatricyclo[16.6.1.019,23]pentacosa-1(24),4,6,10,18-pentaen-9-yl carbamate [ACD/IUPAC Name]
(4E,6Z,8S,9S,10E,12S,13R,14S,16R)-13-Hydroxy-23-(2-hydroxy-2-propanyl)-8,14-dimethoxy-4,10,12,16-tetramethyl-3,25-dioxo-20,22-dioxa-2-azatricyclo[16.6.1.019,23]pentacosa-1(24),4,6,10,18-pentaen-9-yl carbamat [German] [ACD/IUPAC Name]
5,22-Methano-7H-1,3-dioxolo[4,5-d]azacycloheneicosine-7,23-dione, 13-[(aminocarbonyl)oxy]-3a,6,12,13,16,17,18,19,20,21-decahydro-17-hydroxy-3a-(1-hydroxy-1-methylethyl)-12,18-dimethoxy-8,14,16,20-tetr amethyl-, (8E,10Z,12S,13S,14E,16S,17R,18S,20R)- [ACD/Index Name]
Carbamate de (4E,6Z,8S,9S,10E,12S,13R,14S,16R)-13-hydroxy-23-(2-hydroxy-2-propanyl)-8,14-diméthoxy-4,10,12,16-tétraméthyl-3,25-dioxo-20,22-dioxa-2-azatricyclo[16.6.1.019,23]pentacosa-1(24),4,6,10,18 -pentaén-9-yle [French] [ACD/IUPAC Name]
pseudoverticin

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

Density: 1.3±0.1 g/cm3
Boiling Point: 853.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 140.9±6.0 kJ/mol
Flash Point: 469.7±34.3 °C
Index of Refraction: 1.573
Molar Refractivity: 161.8±0.4 cm3
#H bond acceptors: 12
#H bond donors: 5
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 3
ACD/LogP: 2.42
ACD/LogD (pH 5.5): 2.26
ACD/BCF (pH 5.5): 30.49
ACD/KOC (pH 5.5): 401.79
ACD/LogD (pH 7.4): 2.25
ACD/BCF (pH 7.4): 30.37
ACD/KOC (pH 7.4): 400.21
Polar Surface Area: 176 Å2
Polarizability: 64.1±0.5 10-24cm3
Surface Tension: 54.3±5.0 dyne/cm
Molar Volume: 491.0±5.0 cm3

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