H TYPE II TRISACCHARIDE

Status : experimental

Chemical Classification

This compound belongs to the class of organic compounds known as acylaminosugars. These are organic compounds containing a sugar linked to a chain through N-acyl group.

Acylaminosugars

Organic compounds

Organooxygen compounds

Carbohydrates and carbohydrate conjugates

Aminosaccharides

Calculated Property

kind Value Source
logP -2.3 ALOGPS
logS -0.45 ALOGPS
Water Solubility 1.86e+02 g/l ALOGPS
logP -5.7 ChemAxon
IUPAC Name N-[(2R,3R,4R,5S,6R)-5-{[(2S,3R,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-{[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-2-yl]oxy}-2,4-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide ChemAxon
Traditional IUPAC Name H type 2 ChemAxon
Molecular Weight 529.4896 ChemAxon
Monoisotopic Weight 529.200669455 ChemAxon
SMILES C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@@H](O)[C@@H](CO)O[C@H]2O[C@H]2[C@H](O)[C@@H](NC(C)=O)[C@H](O)O[C@@H]2CO)[C@@H](O)[C@H](O)[C@@H]1O ChemAxon
Molecular Formula C20H35NO15 ChemAxon
InChI InChI=1S/C20H35NO15/c1-5-10(25)13(28)15(30)19(32-5)36-17-14(29)11(26)7(3-22)34-20(17)35-16-8(4-23)33-18(31)9(12(16)27)21-6(2)24/h5,7-20,22-23,25-31H,3-4H2,1-2H3,(H,21,24)/t5-,7+,8+,9+,10+,11-,12+,13+,14-,15-,16+,17+,18+,19-,20-/m0/s1 ChemAxon
InChIKey InChIKey=PHTAQVMXYWFMHF-QVPNGJTFSA-N ChemAxon
Polar Surface Area (PSA) 257.32 ChemAxon
Refractivity 110.31 ChemAxon
Polarizability 50.15 ChemAxon
Rotatable Bond Count 7 ChemAxon
H Bond Acceptor Count 15 ChemAxon
H Bond Donor Count 10 ChemAxon
pKa (strongest acidic) 11.44 ChemAxon
pKa (strongest basic) -3.5 ChemAxon
Physiological Charge 0 ChemAxon
Number of Rings 3 ChemAxon
Bioavailability 0 ChemAxon
Rule of Five 0 ChemAxon
Ghose Filter 0 ChemAxon
MDDR-Like Rule 1 ChemAxon

Target within organism

  • Histo-blood group ABO system transferase : in Human