808762-02-9
1-DEOXY-1-[(R)-ETHYLSULFINYL]-3-O-[(4-METHOXYPHENYL)METHYL]-2-O-(PHENYLMETHYL)-4,6-O-[(R)-PHENYLMETHA-D-MANNOPYRANOSE
Name1-DEOXY-1-[(R)-ETHYLSULFINYL]-3-O-[(4-METHOXYPHENYL)METHYL]-2-O-(PHENYLMETHYL)-4,6-O-[(R)-PHENYLMETHA-D-MANNOPYRANOSE
1Identification
【Name】
1-DEOXY-1-[(R)-ETHYLSULFINYL]-3-O-[(4-METHOXYPHENYL)METHYL]-2-O-(PHENYLMETHYL)-4,6-O-[(R)-PHENYLMETHA-D-MANNOPYRANOSE
【CAS】
【MDL】
MFCD13182905
【English Synonyms】
【Formula】
C30H34O7S
【MolWeight】
538.658
【Inchi】
InChI=1S/C30H34O7S/c1-3-38(31)30-28(34-18-21-10-6-4-7-11-21)27(33-19-22-14-16-24(32-2)17-15-22)26-25(36-30)20-35-29(37-26)23-12-8-5-9-13-23/h4-17,25-30H,3,18-20H2,1-2H3/t25-,26-,27+,28+,29-,30-,38-/m1/s1
【InChIKey】
InChIKey=XFDNPSCUNPDKBR-SGHUAIONSA-N
【SMILES】
[H][C@@]1(O[C@@H]2CO[C@H](O[C@H]2[C@H](OCC2=CC=C(OC)C=C2)[C@@H]1OCC1=CC=CC=C1)C1=CC=CC=C1)[S@](=O)CC
【MOL File】
1-DEOXY-1-[(R)-ETHYL….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:7
XLogP3:0.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
1-DEOXY-1-[(R)-ETHYLSULFINYL]-3-O-[(4-METHOXYPHENYL)METHYL]-2-O-(PHENYLMETHYL)-4,6-O-[(R)-PHENYLMETHA-D-MANNOPYRANOSE.cml