501089-97-0
ALPHA-D-GLUCOPYRANOSIDE, METHYL 2-AZIDO-4-O-[2-O-BENZOYL-6-METHYL-3-O-(PHENYLMETHYL)-ALPHA-L-IDOPYRANURONOSYL]-2-DEOXY-3-O-(PHENYLMETHYL)-, 6-BENZOATE
NameALPHA-D-GLUCOPYRANOSIDE, METHYL 2-AZIDO-4-O-[2-O-BENZOYL-6-METHYL-3-O-(PHENYLMETHYL)-ALPHA-L-IDOPYRANURONOSYL]-2-DEOXY-3-O-(PHENYLMETHYL)-, 6-BENZOATE
1Identification
【Name】
ALPHA-D-GLUCOPYRANOSIDE, METHYL 2-AZIDO-4-O-[2-O-BENZOYL-6-METHYL-3-O-(PHENYLMETHYL)-ALPHA-L-IDOPYRANURONOSYL]-2-DEOXY-3-O-(PHENYLMETHYL)-, 6-BENZOATE
【CAS】
【MDL】
MFCD11977640
【English Synonyms】
【Formula】
C42 H43 N3 O13
【MolWeight】
797.81
【Inchi】
InChI=1S/C42H43N3O13/c1-50-40(49)36-32(46)35(53-24-27-17-9-4-10-18-27)37(56-39(48)29-21-13-6-14-22-29)42(58-36)57-33-30(25-54-38(47)28-19-11-5-12-20-28)55-41(51-2)31(44-45-43)34(33)52-23-26-15-7-3-8-16-26/h3-22,30-37,41-42,46H,23-25H2,1-2H3/t30-,31-,32+,33-,34-,35+,36-,37-,41+,42-/m1/s1
【InChIKey】
InChIKey=HMTVMALFPJQRAX-QCIZPTTQSA-N
【SMILES】
CO[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)COC(=O)c2ccccc2)O[C@H]3[C@@H]([C@H]([C@@H]([C@@H](O3)C(=O)OC)O)OCc4ccccc4)OC(=O)c5ccccc5)OCc6ccccc6)N=[N+]=[N-]
【MOL File】
ALPHA-D-GLUCOPYRANOS….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:16
XLogP3:5.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
ALPHA-D-GLUCOPYRANOSIDE, METHYL 2-AZIDO-4-O-[2-O-BENZOYL-6-METHYL-3-O-(PHENYLMETHYL)-ALPHA-L-IDOPYRANURONOSYL]-2-DEOXY-3-O-(PHENYLMETHYL)-, 6-BENZOATE.cml