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lithium(1+) 9-{[(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}nonanoate

lithium(1+) 9-{[(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}nonanoate

CAS: 73346-79-9

Formula: C26H43LiO9

SMILES: [Li+].C[C@H](O)[C@H](C)[C@@H]1O[C@H]1C[C@H]1CO[C@@H](CC(C)=CC(=O)OCCCCCCCCC([O-])=O)[C@H](O)[C@@H]1O

IUPAC: lithium(1+) 9-{[(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}nonanoate

InChI: InChI=1S/C26H44O9.Li/c1-16(13-23(30)33-11-9-7-5-4-6-8-10-22(28)29)12-20-25(32)24(31)19(15-34-20)14-21-26(35-21)17(2)18(3)27;/h13,17-21,24-27,31-32H,4-12,14-15H2,1-3H3,(H,28,29);/q;+1/p-1/b16-13+;/t17-,18-,19-,20-,21-,24+,25-,26-;/m0./s1

Composition: C (61.65%), H (8.56%), Li (1.37%), O (28.43%)

Molar Mass: 506.56

Atom Count: 79

Heavy Atom Count: 36

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 8
Exact Mass 506.3067114
Formal Charge 0
FSP3 0.85
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 8
Hydrogen Bond Donor Count 3
InChIKey XFIKMPRBSORKQP-JATHGWPISA-M
Lipinski's Rule of Five
Molar Refractivity 140.23
Topological Polar Surface Area 148.88
Polarizability 51.42
Ring Count 2
Rotatable Bond Count 17

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Purity LeadTime CAS UnitPrice
98% <14 Days 73346-79-9 Quote Only
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Purity LeadTime CAS PacketSize UnitPrice
97% <14 Days 73346-79-9 $59.16-$416.16$59.16$138.72$256.02$416.16
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