methyl (2S,3S,4S,5R,6S)-3,4,5-tris(acetyloxy)-6-(phenylsulfanyl)oxane-2-carboxylate

methyl (2S,3S,4S,5R,6S)-3,4,5-tris(acetyloxy)-6-(phenylsulfanyl)oxane-2-carboxylate

CAS: 62812-42-4

Formula: C19H22O9S

SMILES: COC(=O)[C@H]1O[C@@H](SC2=CC=CC=C2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O

IUPAC: methyl (2S,3S,4S,5R,6S)-3,4,5-tris(acetyloxy)-6-(phenylsulfanyl)oxane-2-carboxylate

InChI: InChI=1S/C19H22O9S/c1-10(20)25-14-15(26-11(2)21)17(27-12(3)22)19(28-16(14)18(23)24-4)29-13-8-6-5-7-9-13/h5-9,14-17,19H,1-4H3/t14-,15-,16-,17+,19-/m0/s1

Composition: C (53.52%), H (5.20%), O (33.77%), S (7.52%)

Molar Mass: 426.44

Atom Count: 51

Heavy Atom Count: 29

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	5
Exact Mass	426.098453462
Formal Charge	0
FSP3	0.47
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	0
InChIKey	AXUXNCRKZCBMKR-CWLGOENISA-N
Lipinski's Rule of Five	1
Molar Refractivity	98.81
Topological Polar Surface Area	114.43
Polarizability	40.53
Ring Count	2
Rotatable Bond Count	10

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