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sodium 2-[(6-{[6-(2-aminoethoxy)-5-acetamido-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy}-3,4,5-trihydroxyoxan-2-yl)methoxy]-5-acetamido-4-hydroxy-6-(1,2,3-trihydroxypropyl)oxane-2-carboxylate

sodium 2-[(6-{[6-(2-aminoethoxy)-5-acetamido-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy}-3,4,5-trihydroxyoxan-2-yl)methoxy]-5-acetamido-4-hydroxy-6-(1,2,3-trihydroxypropyl)oxane-2-carboxylate

Formula: C27H46N3NaO19

SMILES: [Na+].CC(=O)NC1C(O)C(OC2OC(COC3(CC(O)C(NC(C)=O)C(O3)C(O)C(O)CO)C([O-])=O)C(O)C(O)C2O)C(CO)OC1OCCN

IUPAC: sodium 2-[(6-{[6-(2-aminoethoxy)-5-acetamido-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy}-3,4,5-trihydroxyoxan-2-yl)methoxy]-5-acetamido-4-hydroxy-6-(1,2,3-trihydroxypropyl)oxane-2-carboxylate

InChI: InChI=1/C27H47N3O19.Na/c1-9(33)29-15-11(35)5-27(26(42)43,49-23(15)17(37)12(36)6-31)45-8-14-18(38)20(40)21(41)25(47-14)48-22-13(7-32)46-24(44-4-3-28)16(19(22)39)30-10(2)34;/h11-25,31-32,35-41H,3-8,28H2,1-2H3,(H,29,33)(H,30,34)(H,42,43);/q;+1/p-1

Composition: C (43.84%), H (6.27%), N (5.68%), Na (3.11%), O (41.10%)

Molar Mass: 739.657

Atom Count: 96

Heavy Atom Count: 50

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 16
Exact Mass 739.26232055
Formal Charge 0
FSP3 0.89
Hetero Ring Count 3
Hydrogen Bond Acceptor Count 20
Hydrogen Bond Donor Count 12
InChIKey NPUQYAFWJUTXIR-UHFFFAOYNA-M
Lipinski's Rule of Five
Molar Refractivity 163.25
Topological Polar Surface Area 361.8
Polarizability 63.2
Ring Count 3
Rotatable Bond Count 15

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Purity (%)
-
Ships Within
Days
Packet Size
Molecule Market Select
Purity LeadTime Formula UnitPrice
98% <14 Days C27H46N3NaO19 Quote Only