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[(2R,3S,4R,5R,6S)-3,4-bis(acetyloxy)-6-(phenylsulfanyl)-5-{[(2,2,2-trichloroethoxy)carbonyl]amino}oxan-2-yl]methyl acetate

[(2R,3S,4R,5R,6S)-3,4-bis(acetyloxy)-6-(phenylsulfanyl)-5-{[(2,2,2-trichloroethoxy)carbonyl]amino}oxan-2-yl]methyl acetate

CAS: 187022-49-7

Formula: C21H24Cl3NO9S

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

IUPAC: [(2R,3S,4R,5R,6S)-3,4-bis(acetyloxy)-6-(phenylsulfanyl)-5-{[(2,2,2-trichloroethoxy)carbonyl]amino}oxan-2-yl]methyl acetate

InChI: InChI=1S/C21H24Cl3NO9S/c1-11(26)30-9-15-17(32-12(2)27)18(33-13(3)28)16(25-20(29)31-10-21(22,23)24)19(34-15)35-14-7-5-4-6-8-14/h4-8,15-19H,9-10H2,1-3H3,(H,25,29)/t15-,16-,17-,18-,19+/m1/s1

Composition: C (44.03%), H (4.22%), Cl (18.57%), N (2.45%), O (25.14%), S (5.60%)

Molar Mass: 572.83

Atom Count: 59

Heavy Atom Count: 35

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 5
Exact Mass 571.0237356
Formal Charge 0
FSP3 0.52
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 5
Hydrogen Bond Donor Count 1
InChIKey AZDNCEYOFMNMSH-NNIGNNQHSA-N
Lipinski's Rule of Five
Molar Refractivity 126.85
Topological Polar Surface Area 126.46
Polarizability 51.1
Ring Count 2
Rotatable Bond Count 13

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Purity LeadTime CAS PacketSize UnitPrice
98% <6 Days 187022-49-7 $70.15-$377.20$70.15$128.80$377.20
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95% <7 Days 187022-49-7 $7.25-$76.59$7.25$10.35$17.60$76.59
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98% <5 Days 187022-49-7 $465.31$465.31
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