(2R,3R,4S,5R,6R)-2-(hydroxymethyl)-6-(3,6,9,12-tetraoxapentadec-14-yn-1-yloxy)oxane-3,4,5-triol

(2R,3R,4S,5R,6R)-2-(hydroxymethyl)-6-(3,6,9,12-tetraoxapentadec-14-yn-1-yloxy)oxane-3,4,5-triol

CAS: 1397682-63-1

Formula: C17H30O10

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

IUPAC: (2R,3R,4S,5R,6R)-2-(hydroxymethyl)-6-(3,6,9,12-tetraoxapentadec-14-yn-1-yloxy)oxane-3,4,5-triol

InChI: InChI=1S/C17H30O10/c1-2-3-22-4-5-23-6-7-24-8-9-25-10-11-26-17-16(21)15(20)14(19)13(12-18)27-17/h1,13-21H,3-12H2/t13-,14+,15+,16-,17-/m1/s1

Composition: C (51.77%), H (7.67%), O (40.56%)

Molar Mass: 394.417

Atom Count: 57

Heavy Atom Count: 27

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	5
Exact Mass	394.183897166
Formal Charge	0
FSP3	0.88
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	10
Hydrogen Bond Donor Count	4
InChIKey	QZJHREOKMZFHTH-DRRXZNNHSA-N
Lipinski's Rule of Five	1
Molar Refractivity	92.43
Topological Polar Surface Area	136.3
Polarizability	37.12
Ring Count	1
Rotatable Bond Count	15

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