2-methyl-2-{[3,4,5-trihydroxy-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}butanenitrile

2-methyl-2-{[3,4,5-trihydroxy-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}butanenitrile

Formula: C17H29NO11

SMILES: CCC(C)(OC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O)C#N

IUPAC: 2-methyl-2-{[3,4,5-trihydroxy-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}butanenitrile

InChI: InChI=1/C17H29NO11/c1-3-17(2,6-18)29-16-14(25)12(23)10(21)8(28-16)5-26-15-13(24)11(22)9(20)7(4-19)27-15/h7-16,19-25H,3-5H2,1-2H3

Composition: C (48.22%), H (6.90%), N (3.31%), O (41.56%)

Molar Mass: 423.415

Atom Count: 58

Heavy Atom Count: 29

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	11
Exact Mass	423.174060758
Formal Charge	0
FSP3	0.94
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	12
Hydrogen Bond Donor Count	7
InChIKey	WOSYVGNDRYBQCQ-UHFFFAOYNA-N
Lipinski's Rule of Five
Molar Refractivity	91.88
Topological Polar Surface Area	202.32
Polarizability	37.98
Ring Count	2
Rotatable Bond Count	7

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Purity	LeadTime	Formula		UnitPrice
98%	<10 Days	C17H29NO11		Quote Only