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2-{[6-({6-[(6-{[4,5-dihydroxy-2-(hydroxymethyl)-6-(4-nitrophenoxy)oxan-3-yl]oxy}-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl)oxy]-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl}oxy)-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol

2-{[6-({6-[(6-{[4,5-dihydroxy-2-(hydroxymethyl)-6-(4-nitrophenoxy)oxan-3-yl]oxy}-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl)oxy]-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl}oxy)-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol

CAS: 129411-63-8

Formula: C36H55NO28

SMILES: OCC1OC(OC2C(O)C(O)C(OC3C(O)C(O)C(OC4C(O)C(O)C(OC5C(O)C(O)C(OC6=CC=C(C=C6)[N+]([O-])=O)OC5CO)OC4CO)OC3CO)OC2CO)C(O)C(O)C1O

IUPAC: 2-{[6-({6-[(6-{[4,5-dihydroxy-2-(hydroxymethyl)-6-(4-nitrophenoxy)oxan-3-yl]oxy}-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl)oxy]-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl}oxy)-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol

InChI: InChI=1/C36H55NO28/c38-5-12-17(43)18(44)23(49)33(57-12)62-29-14(7-40)59-35(25(51)20(29)46)64-31-16(9-42)61-36(27(53)22(31)48)65-30-15(8-41)60-34(26(52)21(30)47)63-28-13(6-39)58-32(24(50)19(28)45)56-11-3-1-10(2-4-11)37(54)55/h1-4,12-36,38-53H,5-9H2

Composition: C (45.52%), H (5.84%), N (1.47%), O (47.16%)

Molar Mass: 949.815

Atom Count: 120

Heavy Atom Count: 65

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 25
Exact Mass 949.291060135
Formal Charge 0
FSP3 0.83
Hetero Ring Count 5
Hydrogen Bond Acceptor Count 28
Hydrogen Bond Donor Count 16
InChIKey YXGBAQKCCMQLGH-UHFFFAOYNA-N
Lipinski's Rule of Five
Molar Refractivity 196.16
Topological Polar Surface Area 459.12
Polarizability 81.9
Ring Count 6
Rotatable Bond Count 16

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