Found 1 result

Search term: PWDAZEBIOZXQRY-SCKLUERHSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | (1S,2R,5R,6S,10R,11R,13R,15R,19Z,22S,23R)-19-[(Benzyloxy)imino]-5-ethyl-2,6,11,13,15,22-hexamethyl-3,8,12-trioxo-4,7,16,21-tetraoxa-9-azatricyclo[13.6.2.0~6,10~]tricos-23-yl 3,4,6-trideoxy-3-(dimethyl amino)-beta-D-xylo-hexopyranoside | C41H63N3O11

(1S,2R,5R,6S,10R,11R,13R,15R,19Z,22S,23R)-19-[(Benzyloxy)imino]-5-ethyl-2,6,11,13,15,22-hexamethyl-3,8,12-trioxo-4,7,16,21-tetraoxa-9-azatricyclo[13.6.2.06,10]tricos-23-yl 3,4,6-trideoxy-3-(dimethyl amino)-β-D-xylo-hexopyranoside

  • Molecular FormulaC41H63N3O11
  • Average mass773.952 Da
  • Monoisotopic mass773.446289 Da
  • ChemSpider ID24687420

  • 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,10R,11R,13R,15R,19Z,22S,23R)-19-[(Benzyloxy)imino]-5-ethyl-2,6,11,13,15,22-hexamethyl-3,8,12-trioxo-4,7,16,21-tetraoxa-9-azatricyclo[13.6.2.06,10]tricos-23-yl 3,4,6-trideoxy-3-(dimethyl amino)-β-D-xylo-hexopyranoside [ACD/IUPAC Name]
(1S,2R,5R,6S,10R,11R,13R,15R,19Z,22S,23R)-19-[(Benzyloxy)imino]-5-ethyl-2,6,11,13,15,22-hexamethyl-3,8,12-trioxo-4,7,16,21-tetraoxa-9-azatricyclo[13.6.2.06,10]tricos-23-yl-3,4,6-tridesoxy-3-(dimethy lamino)-β-D-xylo-hexopyranosid [German] [ACD/IUPAC Name]
3,4,6-Tridésoxy-3-(diméthylamino)-β-D-xylo-hexopyranoside de (1S,2R,5R,6S,10R,11R,13R,15R,19Z,22S,23R)-19-[(benzyloxy)imino]-5-éthyl-2,6,11,13,15,22-hexaméthyl-3,8,12-trioxo-4,7,16,21-tétraoxa-9-az atricyclo[13.6.2.06,10]tricos-23-yle [French] [ACD/IUPAC Name]
8,15-Ethano-6H-[1,5,10]trioxacyclooctadecino[16,17-d]oxazole-2,6,11,18(1H,10H,15H)-tetrone, 4-ethyldecahydro-3a,7,15,17,19,21-hexamethyl-20-[[3,4,6-trideoxy-3-(dimethylamino)-β-D-xylo-hexopyranosyl ]oxy]-, 11-[O-(phenylmethyl)oxime], (3aS,4R,7R,8S,11Z,15R,17R,19R,19aR,20R,21S)- [ACD/Index 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:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.580
Molar Refractivity: 201.2±0.5 cm3
#H bond acceptors: 14
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 3
ACD/LogP: 5.80
ACD/LogD (pH 5.5): 2.80
ACD/BCF (pH 5.5): 20.73
ACD/KOC (pH 5.5): 62.19
ACD/LogD (pH 7.4): 4.51
ACD/BCF (pH 7.4): 1057.60
ACD/KOC (pH 7.4): 3172.42
Polar Surface Area: 164 Å2
Polarizability: 79.8±0.5 10-24cm3
Surface Tension: 43.0±7.0 dyne/cm
Molar Volume: 604.8±7.0 cm3

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