Found 4 results

Search term: MF = 'C_{39}H_{61}N_{5}O_{11}'
ChemSpider 2D Image | (1S,2R,5R,6S,10S,11R,13R,15R,18E,21R,22R)-18-{[(2-Amino-4-pyridinyl)methoxy]imino}-5-ethyl-2,6,11,13,15,21-hexamethyl-3,8,12-trioxo-4,7,16,20-tetraoxa-9-azatricyclo[13.5.2.0~6,10~]docos-22-yl 3,4,6-tr ideoxy-3-(dimethylamino)-beta-D-xylo-hexopyranoside | C39H61N5O11

(1S,2R,5R,6S,10S,11R,13R,15R,18E,21R,22R)-18-{[(2-Amino-4-pyridinyl)methoxy]imino}-5-ethyl-2,6,11,13,15,21-hexamethyl-3,8,12-trioxo-4,7,16,20-tetraoxa-9-azatricyclo[13.5.2.06,10]docos-22-yl 3,4,6-tr ideoxy-3-(dimethylamino)-β-D-xylo-hexopyranoside

  • Molecular FormulaC39H61N5O11
  • Average mass775.929 Da
  • Monoisotopic mass775.436768 Da
  • ChemSpider ID9673516

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 14 of 14 defined stereocentres

More details:

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

(1S,2R,5R,6S,10S,11R,13R,15R,18E,21R,22R)-18-{[(2-Amino-4-pyridinyl)methoxy]imino}-5-ethyl-2,6,11,13,15,21-hexamethyl-3,8,12-trioxo-4,7,16,20-tetraoxa-9-azatricyclo[13.5.2.06,10]docos-22-yl 3,4,6-tr ideoxy-3-(dimethylamino)-β-D-xylo-hexopyranoside [ACD/IUPAC Name]
(1S,2R,5R,6S,10S,11R,13R,15R,18E,21R,22R)-18-{[(2-Amino-4-pyridinyl)methoxy]imino}-5-ethyl-2,6,11,13,15,21-hexamethyl-3,8,12-trioxo-4,7,16,20-tetraoxa-9-azatricyclo[13.5.2.06,10]docos-22-yl-3,4,6-tr idesoxy-3-(dimethylamino)-β-D-xylo-hexopyranosid [German] [ACD/IUPAC Name]
3,4,6-Tridésoxy-3-(diméthylamino)-β-D-xylo-hexopyranoside de (1S,2R,5R,6S,10S,11R,13R,15R,18E,21R,22R)-18-{[(2-amino-4-pyridinyl)méthoxy]imino}-5-éthyl-2,6,11,13,15,21-hexaméthyl-3,8,12-trioxo-4,7, 16,20-tétraoxa-9-azatricyclo[13.5.2.06,10]docos-22-yle [French] [ACD/IUPAC Name]
8,14-Ethano-6H,10H-[1,5,9]trioxacycloheptadecino[12,11-d]oxazole-2,6,11,17(1H,12H,14H)-tetrone, 4-ethyloctahydro-3a,7,14,16,18,20-hexamethyl-19-[[3,4,6-trideoxy-3-(dimethylamino)-β-D-xylo-hexopyran osyl]oxy]-, 11-[O-[(2-amino-4-pyridinyl)methyl]oxime], (3aS,4R,7R,8S,11E,14R,16R,18R,18aS,19R,20R)- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.602
Molar Refractivity: 196.9±0.5 cm3
#H bond acceptors: 16
#H bond donors: 4
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 4.22
ACD/LogD (pH 5.5): 0.32
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 3.08
ACD/BCF (pH 7.4): 82.46
ACD/KOC (pH 7.4): 481.33
Polar Surface Area: 203 Å2
Polarizability: 78.1±0.5 10-24cm3
Surface Tension: 46.4±7.0 dyne/cm
Molar Volume: 574.2±7.0 cm3

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