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[(2R,3R,4S,5R,6R)-3,4,5-tris(acetyloxy)-6-(ethylsulfanyl)oxan-2-yl]methyl acetate

[(2R,3R,4S,5R,6R)-3,4,5-tris(acetyloxy)-6-(ethylsulfanyl)oxan-2-yl]methyl acetate

CAS: 41670-79-5

Formula: C16H24O9S

SMILES: CCS[C@H]1O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O

IUPAC: [(2R,3R,4S,5R,6R)-3,4,5-tris(acetyloxy)-6-(ethylsulfanyl)oxan-2-yl]methyl acetate

InChI: InChI=1S/C16H24O9S/c1-6-26-16-15(24-11(5)20)14(23-10(4)19)13(22-9(3)18)12(25-16)7-21-8(2)17/h12-16H,6-7H2,1-5H3/t12-,13-,14+,15-,16-/m1/s1

Composition: C (48.97%), H (6.16%), O (36.69%), S (8.17%)

Molar Mass: 392.42

Atom Count: 50

Heavy Atom Count: 26

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 5
Exact Mass 392.114103527
Formal Charge 0
FSP3 0.75
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 5
Hydrogen Bond Donor Count 0
InChIKey YPNFVZQPWZMHIF-IBEHDNSVSA-N
Lipinski's Rule of Five 1
Molar Refractivity 88.2
Topological Polar Surface Area 114.43
Polarizability 36.55
Ring Count 1
Rotatable Bond Count 11

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Purity LeadTime CAS UnitPrice
98% <10 Days 41670-79-5 Quote Only
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Purity LeadTime CAS PacketSize UnitPrice
95% <5 Days 41670-79-5 $152.58-$619.15$152.58$224.46$619.15
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