ChemSpider 2D Image | Maridomycin | C41H67NO15

Maridomycin

  • Molecular FormulaC41H67NO15
  • Average mass813.968 Da
  • Monoisotopic mass813.451050 Da
  • ChemSpider ID34991618

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 18 of 18 defined stereocentres

More details:

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

(1S,3R,7R,8S,9S,10R,12R,13R,14E,16S)-13-Hydroxy-8-methoxy-3,12-dimethyl-5-oxo-10-(2-oxoethyl)-7-propionyl-4,17-dioxabicyclo[14.1.0]heptadec-14-en-9-yl 3,6-dideoxy-4-O-(2,6-dideoxy-3-C-methyl-4-O-propi ;onyl-α-L-ribo-hexopyranosyl)-3-(dimethylamino)-β-D-glucopyranoside [ACD/IUPAC Name]
(1S,3R,7R,8S,9S,10R,12R,13R,14E,16S)-13-Hydroxy-8-methoxy-3,12-dimethyl-5-oxo-10-(2-oxoethyl)-7-propionyl-4,17-dioxabicyclo[14.1.0]heptadec-14-en-9-yl-3,6-didesoxy-4-O-(2,6-didesoxy-3-C-methyl-4-O-pro ;pionyl-α-L-ribo-hexopyranosyl)-3-(dimethylamino)-β-D-glucopyranosid [German] [ACD/IUPAC Name]
3,6-Didésoxy-4-O-(2,6-didésoxy-3-C-méthyl-4-O-propionyl-α-L-ribo-hexopyranosyl)-3-(diméthylamino)-β-D-glucopyranoside de (1S,3R,7R,8S,9S,10R,12R,13R,14E,16S)-13-hydroxy-8-méthoxy-3,12-diméthyl- 5-oxo-10-(2-oxoéthyl)-7-propionyl-4,17-dioxabicyclo[14.1.0]heptadéc-14-én-9-yle [French] [ACD/IUPAC Name]
35775-82-7 [RN]
4,17-Dioxabicyclo[14.1.0]heptadec-14-ene-10-acetaldehyde, 9-[[3,6-dideoxy-4-O-[2,6-dideoxy-3-C-methyl-4-O-(1-oxopropyl)-α-L-ribo-hexopyranosyl]-3-(dimethylamino)-β-D-glucopyranosyl]oxy]-13-hydr oxy-8-methoxy-3,12-dimethyl-5-oxo-7-(1-oxopropyl)-, (1S,3R,7R,8S,9S,10R,12R,13R,14E,16S)- [ACD/Index Name]
J9XX668K4U
Maridomycin [INN]
UNII:J9XX668K4U
UNII-J9XX668K4U

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

3650 [DBID]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 891.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 147.1±6.0 kJ/mol
Flash Point: 492.8±34.3 °C
Index of Refraction: 1.541
Molar Refractivity: 206.4±0.4 cm3
#H bond acceptors: 16
#H bond donors: 3
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 1.91
ACD/LogD (pH 5.5): -0.31
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.47
ACD/LogD (pH 7.4): 1.22
ACD/BCF (pH 7.4): 4.33
ACD/KOC (pH 7.4): 84.15
Polar Surface Area: 209 Å2
Polarizability: 81.8±0.5 10-24cm3
Surface Tension: 52.5±5.0 dyne/cm
Molar Volume: 657.0±5.0 cm3

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