1,3-Di(N-Propyloxy-a-Mannopyranosyl)-Carbomyl 5-Methyazido-Benzene

Status : experimental

Chemical Classification

This compound belongs to the class of organic compounds known as o-glycosyl compounds. These are glycoside in which a sugar group is bonded through one carbon to another group via a O-glycosidic bond.

O-glycosyl compounds

Organic compounds

Organooxygen compounds

Carbohydrates and carbohydrate conjugates

Glycosyl compounds

Calculated Property

kind Value Source
logP -1.3 ALOGPS
logS -1.9 ALOGPS
Water Solubility 8.15e+00 g/l ALOGPS
logP -4.6 ChemAxon
IUPAC Name 5-(azidomethyl)-N1,N3-bis(3-{[(2S,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}propyl)benzene-1,3-dicarboxamide ChemAxon
Traditional IUPAC Name 5-(azidomethyl)-N1,N3-bis(3-{[(2S,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}propyl)benzene-1,3-dicarboxamide ChemAxon
Molecular Weight 659.6395 ChemAxon
Monoisotopic Weight 659.265001045 ChemAxon
SMILES OC[C@@H]1O[C@H](OCCCNC(=O)C2=CC(=CC(CN=[N+]=[N-])=C2)C(=O)NCCCO[C@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H](O)[C@H](O)[C@H]1O ChemAxon
Molecular Formula C27H41N5O14 ChemAxon
InChI InChI=1S/C27H41N5O14/c28-32-31-10-13-7-14(24(41)29-3-1-5-43-26-22(39)20(37)18(35)16(11-33)45-26)9-15(8-13)25(42)30-4-2-6-44-27-23(40)21(38)19(36)17(12-34)46-27/h7-9,16-23,26-27,33-40H,1-6,10-12H2,(H,29,41)(H,30,42)/t16-,17-,18-,19-,20+,21+,22-,23-,26-,27-/m0/s1 ChemAxon
InChIKey InChIKey=GKRIMQPDERYOML-WUSUXDPJSA-N ChemAxon
Polar Surface Area (PSA) 286.39 ChemAxon
Refractivity 154.26 ChemAxon
Polarizability 67.69 ChemAxon
Rotatable Bond Count 16 ChemAxon
H Bond Acceptor Count 16 ChemAxon
H Bond Donor Count 10 ChemAxon
pKa (strongest acidic) 11.91 ChemAxon
pKa (strongest basic) -3.6 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