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N-[(2R,3R,4R,5S,6R)-5-hydroxy-6-(hydroxymethyl)-2-(octyloxy)-4-{[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-3-yl]acetamide

N-[(2R,3R,4R,5S,6R)-5-hydroxy-6-(hydroxymethyl)-2-(octyloxy)-4-{[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-3-yl]acetamide

CAS: 197390-85-5

Formula: C22H41NO11

SMILES: CCCCCCCCO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H]1NC(C)=O

IUPAC: N-[(2R,3R,4R,5S,6R)-5-hydroxy-6-(hydroxymethyl)-2-(octyloxy)-4-{[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-3-yl]acetamide

InChI: InChI=1S/C22H41NO11/c1-3-4-5-6-7-8-9-31-21-15(23-12(2)26)20(17(28)14(11-25)32-21)34-22-19(30)18(29)16(27)13(10-24)33-22/h13-22,24-25,27-30H,3-11H2,1-2H3,(H,23,26)/t13-,14-,15+,16+,17-,18+,19+,20-,21-,22+/m1/s1

Composition: C (53.32%), H (8.34%), N (2.83%), O (35.51%)

Molar Mass: 495.566

Atom Count: 75

Heavy Atom Count: 34

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 10
Exact Mass 495.267961144
Formal Charge 0
FSP3 0.95
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 11
Hydrogen Bond Donor Count 7
InChIKey LAVIBJFXURBICK-OEUZHLKXSA-N
Lipinski's Rule of Five
Molar Refractivity 116.47
Topological Polar Surface Area 187.4
Polarizability 47.77
Ring Count 2
Rotatable Bond Count 13

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Purity LeadTime CAS PacketSize UnitPrice
98% <7 Days 197390-85-5 $780.39-$1,214.06$780.39$1,214.06
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Purity LeadTime CAS PacketSize UnitPrice
% <6 Days 197390-85-5 $756.70-$1,205.20$756.70$1,205.20
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