902751-31-9
D-GLYCERO-A-D-MANNO-HEPTOPYRANOSIDE, PHENYL 3-O-(2-NAPHTHALENYLMETHYL)-2,7-BIS-O-(PHENYLMETHYL)-4,6-O-[(R)-PHENYLMETHYLENE]-1-THIO-
NameD-GLYCERO-A-D-MANNO-HEPTOPYRANOSIDE, PHENYL 3-O-(2-NAPHTHALENYLMETHYL)-2,7-BIS-O-(PHENYLMETHYL)-4,6-O-[(R)-PHENYLMETHYLENE]-1-THIO-
1Identification
【Name】
D-GLYCERO-A-D-MANNO-HEPTOPYRANOSIDE, PHENYL 3-O-(2-NAPHTHALENYLMETHYL)-2,7-BIS-O-(PHENYLMETHYL)-4,6-O-[(R)-PHENYLMETHYLENE]-1-THIO-
【CAS】
【MDL】
MFCD13182659
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C45H42O6S
【pro_molWeight】
710.887
【Inchi】
InChI=1S/C45H42O6S/c1-5-15-32(16-6-1)28-46-31-39-40-42(50-44(49-39)36-20-9-3-10-21-36)41(47-30-34-25-26-35-19-13-14-22-37(35)27-34)43(48-29-33-17-7-2-8-18-33)45(51-40)52-38-23-11-4-12-24-38/h1-27,39-45H,28-31H2/t39-,40-,41+,42-,43+,44-,45-/m1/s1
【InChIKey】
InChIKey=WOQJKDNTRNOTQQ-BMEGKUOQSA-N
【SMILES】
[H][C@]12O[C@H](SC3=CC=CC=C3)[C@@H](OCC3=CC=CC=C3)[C@@H](OCC3=CC4=C(C=CC=C4)C=C3)[C@@H]1O[C@@H](O[C@@H]2COCC1=CC=CC=C1)C1=CC=CC=C1
【MOL File】
D-GLYCERO-A-D-MANNO-….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:0
pro_acceptors:6
XLogP3:7.3946
Bulk/Fine:F
3MaterialMSDS
4CMLFile
D-GLYCERO-A-D-MANNO-HEPTOPYRANOSIDE, PHENYL 3-O-(2-NAPHTHALENYLMETHYL)-2,7-BIS-O-(PHENYLMETHYL)-4,6-O-[(R)-PHENYLMETHYLENE]-1-THIO-.cml