1-3 Sugar Ring of Pentamannosyl 6-Phosphate

Status : experimental

Chemical Classification

This compound belongs to the class of organic compounds known as oligosaccharide phosphates. These are carbohydrates containing between 3 and 9 sugar units, one of which bear one or more phosphate groups.

Oligosaccharide phosphates

Organic compounds

Organooxygen compounds

Carbohydrates and carbohydrate conjugates

Oligosaccharides

Calculated Property

kind Value Source
logP -2.4 ALOGPS
logS -1.1 ALOGPS
Water Solubility 5.08e+01 g/l ALOGPS
logP -6.6 ChemAxon
IUPAC Name {[(2S,3R,4R,5S,6R)-6-{[(2S,3S,4R,5S,6R)-3,5-dihydroxy-2-(hydroxymethyl)-6-{[(2S,3S,4R,5S,6S)-2,3,5-trihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy}oxan-4-yl]oxy}-3,4,5-trihydroxyoxan-2-yl]methoxy}phosphonic acid ChemAxon
Traditional IUPAC Name [(2S,3R,4R,5S,6R)-6-{[(2S,3S,4R,5S,6R)-3,5-dihydroxy-2-(hydroxymethyl)-6-{[(2S,3S,4R,5S,6S)-2,3,5-trihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy}oxan-4-yl]oxy}-3,4,5-trihydroxyoxan-2-yl]methoxyphosphonic acid ChemAxon
Molecular Weight 584.417 ChemAxon
Monoisotopic Weight 584.135365386 ChemAxon
SMILES OC[C@@H]1O[C@H](O)[C@@H](O)[C@H](O[C@H]2O[C@@H](CO)[C@H](O)[C@@H](O[C@H]3O[C@@H](COP(O)(O)=O)[C@H](O)[C@@H](O)[C@@H]3O)[C@@H]2O)[C@H]1O ChemAxon
Molecular Formula C18H33O19P ChemAxon
InChI InChI=1S/C18H33O19P/c19-1-4-8(22)14(12(26)16(28)33-4)36-18-13(27)15(9(23)5(2-20)34-18)37-17-11(25)10(24)7(21)6(35-17)3-32-38(29,30)31/h4-28H,1-3H2,(H2,29,30,31)/t4-,5-,6-,7-,8-,9-,10+,11-,12-,13-,14+,15+,16-,17+,18+/m0/s1 ChemAxon
InChIKey InChIKey=HDQMHAJOIVYOIP-QPBMUXFQSA-N ChemAxon
Polar Surface Area (PSA) 315.21 ChemAxon
Refractivity 111.62 ChemAxon
Polarizability 51.78 ChemAxon
Rotatable Bond Count 9 ChemAxon
H Bond Acceptor Count 18 ChemAxon
H Bond Donor Count 12 ChemAxon
pKa (strongest acidic) 1.22 ChemAxon
pKa (strongest basic) -3.7 ChemAxon
Physiological Charge -2 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

  • Cation-dependent mannose-6-phosphate receptor : in Human