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7-{[(2E)-4-[(2S,3R,4R,5S)-3,4-dihydroxy-5-{[(2S,3S)-3-[(2S,3S)-3-hydroxybutan-2-yl]oxiran-2-yl]methyl}oxan-2-yl]-3-methylbut-2-enoyl]oxy}heptanoic acid

7-{[(2E)-4-[(2S,3R,4R,5S)-3,4-dihydroxy-5-{[(2S,3S)-3-[(2S,3S)-3-hydroxybutan-2-yl]oxiran-2-yl]methyl}oxan-2-yl]-3-methylbut-2-enoyl]oxy}heptanoic acid

CAS: 167842-64-0

Formula: C24H40O9

SMILES: C[C@H](O)[C@H](C)[C@@H]1O[C@H]1C[C@H]1CO[C@@H](CC(C)=CC(=O)OCCCCCCC(O)=O)[C@H](O)[C@@H]1O

IUPAC: 7-{[(2E)-4-[(2S,3R,4R,5S)-3,4-dihydroxy-5-{[(2S,3S)-3-[(2S,3S)-3-hydroxybutan-2-yl]oxiran-2-yl]methyl}oxan-2-yl]-3-methylbut-2-enoyl]oxy}heptanoic acid

InChI: InChI=1S/C24H40O9/c1-14(11-21(28)31-9-7-5-4-6-8-20(26)27)10-18-23(30)22(29)17(13-32-18)12-19-24(33-19)15(2)16(3)25/h11,15-19,22-25,29-30H,4-10,12-13H2,1-3H3,(H,26,27)/b14-11+/t15-,16-,17-,18-,19-,22+,23-,24-/m0/s1

Composition: C (61.00%), H (8.53%), O (30.47%)

Molar Mass: 472.575

Atom Count: 73

Heavy Atom Count: 33

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 8
Exact Mass 472.267232868
Formal Charge 0
FSP3 0.83
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 8
Hydrogen Bond Donor Count 4
InChIKey MIVFEJHUAUQOLX-XUUZYBQDSA-N
Lipinski's Rule of Five 1
Molar Refractivity 120.19
Topological Polar Surface Area 146.05
Polarizability 47.88
Ring Count 2
Rotatable Bond Count 15

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Purity LeadTime CAS PacketSize UnitPrice
97% <14 Days 167842-64-0 $4,386.00-$6,232.20$4,386.00$6,232.20
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