ChemSpider 2D Image | (1S,2R,18R,19R,22S,25R,28R,40R)-22-(2-Amino-2-oxoethyl)-48-{[(3xi)-2-O-(3-amino-2,3,6-trideoxy-3-methyl-alpha-L-arabino-hexopyranosyl)-beta-D-ribo-hexopyranosyl]oxy}-2-[(3-amino-2,3,6-trideoxy-3-methy l-alpha-L-arabino-hexopyranosyl)oxy]-5,15-dichloro-18,32,35,37-tetrahydroxy-19-[(N-methyl-D-leucyl)amino]-20,23,26,42,44-pentaoxo-7,13-dioxa-21,24,27,41,43-pentaazaoctacyclo[26.14.2.2~3,6~.2~14,17~.1~ 8,12~.1~29,33~.0~10,25~.0~34,39~]pentaconta- | C73H88Cl2N10O26

(1S,2R,18R,19R,22S,25R,28R,40R)-22-(2-Amino-2-oxoethyl)-48-{[(3ξ)-2-O-(3-amino-2,3,6-trideoxy-3-methyl-α-L-arabino-hexopyranosyl)-β-D-ribo-hexopyranosyl]oxy}-2-[(3-amino-2,3,6-trideoxy-3-methy l-α-L-arabino-hexopyranosyl)oxy]-5,15-dichloro-18,32,35,37-tetrahydroxy-19-[(N-methyl-D-leucyl)amino]-20,23,26,42,44-pentaoxo-7,13-dioxa-21,24,27,41,43-pentaazaoctacyclo[26.14.2.23,6.214,17.1 8,12.129,33.010,25.034,39]pentaconta-

  • Molecular FormulaC73H88Cl2N10O26
  • Average mass1592.437 Da
  • Monoisotopic mass1590.524780 Da
  • ChemSpider ID143874

  • defined stereocentres - 21 of 22 defined stereocentres

More details:

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

(1S,2R,18R,19R,22S,25R,28R,40R)-22-(2-Amino-2-oxoethyl)-48-{[(3ξ)-2-O-(3-amino-2,3,6-trideoxy-3-methyl-α-L-arabino-hexopyranosyl)-β-D-ribo-hexopyranosyl]oxy}-2-[(3-amino-2,3,6-trideoxy-3-methy l-α-L-arabino-hexopyranosyl)oxy]-5,15-dichloro-18,32,35,37-tetrahydroxy-19-[(N-methyl-D-leucyl)amino]-20,23,26,42,44-pentaoxo-7,13-dioxa-21,24,27,41,43-pentaazaoctacyclo[26.14.2.23,6.214,17.1 8,12.129,33.010,25.034,39]pentaconta- [ACD/IUPAC Name]
(1S,2R,18R,19R,22S,25R,28R,40R)-22-(2-Amino-2-oxoethyl)-48-{[(3ξ)-2-O-(3-amino-2,3,6-tridesoxy-3-methyl-α-L-arabino-hexopyranosyl)-β-D-ribo-hexopyranosyl]oxy}-2-[(3-amino-2,3,6-tridesoxy-3-met hyl-α-L-arabino-hexopyranosyl)oxy]-5,15-dichlor-18,32,35,37-tetrahydroxy-19-[(N-methyl-D-leucyl)amino]-20,23,26,42,44-pentaoxo-7,13-dioxa-21,24,27,41,43-pentaazaoctacyclo[26.14.2.23,6.214,17.1 8,12.129,33.010,25.034,39]pentaconta [German] [ACD/IUPAC Name]
Acide (1S,2R,18R,19R,22S,25R,28R,40R)-22-(2-amino-2-oxoéthyl)-48-{[(3ξ)-2-O-(3-amino-2,3,6-tridésoxy-3-méthyl-α-L-arabino-hexopyranosyl)-β-D-ribo-hexopyranosyl]oxy}-2-[(3-amino-2,3,6-tridésoxy -3-méthyl-α-L-arabino-hexopyranosyl)oxy]-5,15-dichloro-18,32,35,37-tétrahydroxy-19-[(N-méthyl-D-leucyl)amino]-20,23,26,42,44-pentaoxo-7,13-dioxa-21,24,27,41,43-pentaazaoctacyclo[26.14.2.23,6.21 4,17.18,12.129,33.010,25.034,39]pen [French] [ACD/IUPAC Name]
118395-73-6 [RN]
8-82846A
A 82846B
A83846B
Chloroorienticin A
Vancomycin, 22-O-(3-amino-2,3,6-trideoxy-3-C-methyl-α-L-arabino-hexopyranosyl)-, (4''R)-

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

LY 264826 [DBID]

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

Density: 1.6±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.719
Molar Refractivity: 388.3±0.4 cm3
#H bond acceptors: 36
#H bond donors: 23
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 3
ACD/LogP: -0.45
ACD/LogD (pH 5.5): -6.02
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.35
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 575 Å2
Polarizability: 153.9±0.5 10-24cm3
Surface Tension: 100.1±5.0 dyne/cm
Molar Volume: 983.9±5.0 cm3

Click to predict properties on the Chemicalize site


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