Found 1 result

Search term: C101H198NO21P (Found by molecular formula)
ChemSpider 2D Image | (2S)-2-Amino-3-{[{[7,11,15,19,22,26,30,34,43,47,51,55,58,62,66,70-hexadecamethyl-38-({[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-({[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-y l]oxy}methyl)tetrahydro-2H-pyran-2-yl]oxy}methyl)-1,4,37,40-tetraoxacyclodoheptacontan-2-yl]methoxy}(hydroxy)phosphoryl]oxy}propanoic acid | C101H198NO21P

(2S)-2-Amino-3-{[{[7,11,15,19,22,26,30,34,43,47,51,55,58,62,66,70-hexadecamethyl-38-({[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-({[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-y l]oxy}methyl)tetrahydro-2H-pyran-2-yl]oxy}methyl)-1,4,37,40-tetraoxacyclodoheptacontan-2-yl]methoxy}(hydroxy)phosphoryl]oxy}propanoic acid

  • Molecular FormulaC101H198NO21P
  • Average mass1793.621 Da
  • Monoisotopic mass1792.419434 Da
  • ChemSpider ID29273191

  • defined stereocentres - 11 of 29 defined stereocentres

More details:

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

(2S)-2-Amino-3-{[{[7,11,15,19,22,26,30,34,43,47,51,55,58,62,66,70-hexadecamethyl-38-({[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-({[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-y l]oxy}methyl)tetrahydro-2H-pyran-2-yl]oxy}methyl)-1,4,37,40-tetraoxacyclodoheptacontan-2-yl]methoxy}(hydroxy)phosphoryl]oxy}propanoic acid [ACD/IUPAC Name]
(2S)-2-Amino-3-{[{[7,11,15,19,22,26,30,34,43,47,51,55,58,62,66,70-hexadecamethyl-38-({[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-({[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-y l]oxy}methyl)tetrahydro-2H-pyran-2-yl]oxy}methyl)-1,4,37,40-tetraoxacyclodoheptacontan-2-yl]methoxy}(hydroxy)phosphoryl]oxy}propansäure [German] [ACD/IUPAC Name]
Acide (2S)-2-amino-3-{[{[7,11,15,19,22,26,30,34,43,47,51,55,58,62,66,70-hexadécaméthyl-38-({[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-({[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxyméthyl)tétrahydro-2H-pyr an-2-yl]oxy}méthyl)tétrahydro-2H-pyran-2-yl]oxy}méthyl)-1,4,37,40-tétraoxacyclodoheptacontan-2-yl]méthoxy}(hydroxy)phosphoryl]oxy}propanoïque [French] [ACD/IUPAC Name]
β-D-Glucopyranoside, [38-[[[[(2S)-2-amino-2-carboxyethoxy]hydroxyphosphinyl]oxy]methyl]-7,11,15,19,22,26,30,34,43,47,51,55,58,62,66,70-hexadecamethyl-1,4,37,40-tetraoxacyclodoheptacont-2-yl]methyl 6-O-β-D-glucopyranosyl- [ACD/Index Name]
gentiobiosylcaldarchaetidylserine
Glcp-β-1'-6'Glcp-β-1'-1caldarchaetidylserine

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

Density: 1.1±0.1 g/cm3
Boiling Point: 1374.0±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 234.1±6.0 kJ/mol
Flash Point: 784.8±37.1 °C
Index of Refraction: 1.517
Molar Refractivity: 504.7±0.4 cm3
#H bond acceptors: 22
#H bond donors: 11
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 4
ACD/LogP: 35.91
ACD/LogD (pH 5.5): 25.63
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 25.59
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 344 Å2
Polarizability: 200.1±0.5 10-24cm3
Surface Tension: 47.9±5.0 dyne/cm
Molar Volume: 1669.3±5.0 cm3

Click to predict properties on the Chemicalize site


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