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2-[(2-{[4,5-dihydroxy-2-(hydroxymethyl)-6-(4-nitrophenoxy)oxan-3-yl]oxy}-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl)oxy]-5-acetamido-4-hydroxy-6-(1,2,3-trihydroxypropyl)oxane-2-carboxylic acid

2-[(2-{[4,5-dihydroxy-2-(hydroxymethyl)-6-(4-nitrophenoxy)oxan-3-yl]oxy}-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl)oxy]-5-acetamido-4-hydroxy-6-(1,2,3-trihydroxypropyl)oxane-2-carboxylic acid

Formula: C29H42N2O21

SMILES: CC(=O)NC1C(O)CC(OC2C(O)C(CO)OC(OC3C(O)C(O)C(OC4=CC=C(C=C4)[N+]([O-])=O)OC3CO)C2O)(OC1C(O)C(O)CO)C(O)=O

IUPAC: 2-[(2-{[4,5-dihydroxy-2-(hydroxymethyl)-6-(4-nitrophenoxy)oxan-3-yl]oxy}-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl)oxy]-5-acetamido-4-hydroxy-6-(1,2,3-trihydroxypropyl)oxane-2-carboxylic acid

InChI: InChI=1/C29H42N2O21/c1-10(35)30-17-13(36)6-29(28(43)44,51-24(17)18(38)14(37)7-32)52-25-19(39)15(8-33)48-27(22(25)42)50-23-16(9-34)49-26(21(41)20(23)40)47-12-4-2-11(3-5-12)31(45)46/h2-5,13-27,32-34,36-42H,6-9H2,1H3,(H,30,35)(H,43,44)

Composition: C (46.16%), H (5.61%), N (3.71%), O (44.52%)

Molar Mass: 754.648

Atom Count: 94

Heavy Atom Count: 52

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 16
Exact Mass 754.22800638
Formal Charge 0
FSP3 0.72
Hetero Ring Count 3
Hydrogen Bond Acceptor Count 21
Hydrogen Bond Donor Count 12
InChIKey DBAYUELCHMANGW-UHFFFAOYNA-N
Lipinski's Rule of Five
Molar Refractivity 159.19
Topological Polar Surface Area 367.22
Polarizability 65.37
Ring Count 4
Rotatable Bond Count 14

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Purity (%)
-
Ships Within
Days
Packet Size
Molecule Market Select
Purity LeadTime Formula UnitPrice
98% <14 Days C29H42N2O21 Quote Only