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[(2R,3R,4R,5S,6S)-3,4,5-tris(acetyloxy)-6-{4-chloro-3-[(4-ethoxyphenyl)methyl]phenyl}oxan-2-yl]methyl acetate

[(2R,3R,4R,5S,6S)-3,4,5-tris(acetyloxy)-6-{4-chloro-3-[(4-ethoxyphenyl)methyl]phenyl}oxan-2-yl]methyl acetate

CAS: 461432-25-7

Formula: C29H33ClO10

SMILES: CCOC1=CC=C(CC2=C(Cl)C=CC(=C2)[C@@H]2O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]2OC(C)=O)C=C1

IUPAC: [(2R,3R,4R,5S,6S)-3,4,5-tris(acetyloxy)-6-{4-chloro-3-[(4-ethoxyphenyl)methyl]phenyl}oxan-2-yl]methyl acetate

InChI: InChI=1S/C29H33ClO10/c1-6-35-23-10-7-20(8-11-23)13-22-14-21(9-12-24(22)30)26-28(38-18(4)33)29(39-19(5)34)27(37-17(3)32)25(40-26)15-36-16(2)31/h7-12,14,25-29H,6,13,15H2,1-5H3/t25-,26+,27-,28+,29+/m1/s1

Composition: C (60.36%), H (5.76%), Cl (6.14%), O (27.73%)

Molar Mass: 577.02

Atom Count: 73

Heavy Atom Count: 40

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 5
Exact Mass 576.176225
Formal Charge 0
FSP3 0.45
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 6
Hydrogen Bond Donor Count 0
InChIKey DKOQYKRDCDCNOR-ZCCUTQAASA-N
Lipinski's Rule of Five
Molar Refractivity 141.54
Topological Polar Surface Area 123.66
Polarizability 56.85
Ring Count 3
Rotatable Bond Count 14

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Purity LeadTime CAS UnitPrice
99% <10 Days 461432-25-7 Quote Only
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Purity LeadTime CAS PacketSize UnitPrice
98% <7 Days 461432-25-7 $24.84-$790.74$24.84$31.05$46.58$83.84$113.85$225.63$790.74
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Purity LeadTime CAS PacketSize UnitPrice
97% <14 Days 461432-25-7 $13.26-$140.76$13.26$48.96$140.76
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