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[(2R,3S,4S,5R,6R)-3,4,5-tris(acetyloxy)-6-(3,6,9,12-tetraoxapentadec-14-yn-1-yloxy)oxan-2-yl]methyl acetate

[(2R,3S,4S,5R,6R)-3,4,5-tris(acetyloxy)-6-(3,6,9,12-tetraoxapentadec-14-yn-1-yloxy)oxan-2-yl]methyl acetate

CAS: 1397682-61-9

Formula: C25H38O14

SMILES: CC(=O)OC[C@H]1O[C@@H](OCCOCCOCCOCCOCC#C)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O

IUPAC: [(2R,3S,4S,5R,6R)-3,4,5-tris(acetyloxy)-6-(3,6,9,12-tetraoxapentadec-14-yn-1-yloxy)oxan-2-yl]methyl acetate

InChI: InChI=1S/C25H38O14/c1-6-7-30-8-9-31-10-11-32-12-13-33-14-15-34-25-24(38-20(5)29)23(37-19(4)28)22(36-18(3)27)21(39-25)16-35-17(2)26/h1,21-25H,7-16H2,2-5H3/t21-,22+,23+,24-,25-/m1/s1

Composition: C (53.38%), H (6.81%), O (39.82%)

Molar Mass: 562.565

Atom Count: 77

Heavy Atom Count: 39

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 5
Exact Mass 562.226155904
Formal Charge 0
FSP3 0.76
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 10
Hydrogen Bond Donor Count 0
InChIKey OAGPELHTINAWKB-ZLOLNMDISA-N
Lipinski's Rule of Five
Molar Refractivity 129.03
Topological Polar Surface Area 160.58
Polarizability 52.55
Ring Count 1
Rotatable Bond Count 23

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Purity (%)
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Purity LeadTime CAS PacketSize UnitPrice
95% <2 Days 1397682-61-9 $302.40-$2,362.50$302.40$510.30$831.60$2,362.50
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