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

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

CAS: 915095-99-7

Formula: C31H35ClO11

SMILES: CC(=O)OC[C@H]1O[C@H]([C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O)C1=CC(CC2=CC=C(O[C@@H]3CCOC3)C=C2)=C(Cl)C=C1

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

InChI: InChI=1S/C31H35ClO11/c1-17(33)38-16-27-29(39-18(2)34)31(41-20(4)36)30(40-19(3)35)28(43-27)22-7-10-26(32)23(14-22)13-21-5-8-24(9-6-21)42-25-11-12-37-15-25/h5-10,14,25,27-31H,11-13,15-16H2,1-4H3/t25-,27-,28+,29+,30+,31+/m1/s1

Composition: C (60.15%), H (5.70%), Cl (5.73%), O (28.43%)

Molar Mass: 619.06

Atom Count: 78

Heavy Atom Count: 43

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 6
Exact Mass 618.1867896
Formal Charge 0
FSP3 0.48
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 7
Hydrogen Bond Donor Count 0
InChIKey IVTYEGRDCQLUJE-ZOWHPBDDSA-N
Lipinski's Rule of Five
Molar Refractivity 150.4
Topological Polar Surface Area 132.89
Polarizability 60.54
Ring Count 4
Rotatable Bond Count 14

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Purity LeadTime CAS PacketSize UnitPrice
97% <14 Days 915095-99-7 $71.40-$1,477.98$71.40$256.02$718.08$831.30$1,477.98
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