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2-(4,5-dihydroxy-6-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}cyclohex-2-en-1-ylidene)acetonitrile

2-(4,5-dihydroxy-6-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}cyclohex-2-en-1-ylidene)acetonitrile

CAS: 63492-69-3

Formula: C14H19NO8

SMILES: OCC1OC(OC2C(O)C(O)C=CC2=CC#N)C(O)C(O)C1O

IUPAC: 2-(4,5-dihydroxy-6-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}cyclohex-2-en-1-ylidene)acetonitrile

InChI: InChI=1/C14H19NO8/c15-4-3-6-1-2-7(17)9(18)13(6)23-14-12(21)11(20)10(19)8(5-16)22-14/h1-3,7-14,16-21H,5H2

Composition: C (51.06%), H (5.82%), N (4.25%), O (38.87%)

Molar Mass: 329.305

Atom Count: 42

Heavy Atom Count: 23

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 8
Exact Mass 329.111066576
Formal Charge 0
FSP3 0.64
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 9
Hydrogen Bond Donor Count 6
InChIKey WIIDBJNWXCWLKF-UHFFFAOYNA-N
Lipinski's Rule of Five
Molar Refractivity 75.84
Topological Polar Surface Area 163.63
Polarizability 29.81
Ring Count 2
Rotatable Bond Count 3

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98% <10 Days 63492-69-3 Quote Only