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2-({2-[(6-{[3,5-dihydroxy-2-(hydroxymethyl)-6-{[4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy}oxan-4-yl]oxy}-5-acetamido-2-(hydroxymethyl)-4-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]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-[(6-{[3,5-dihydroxy-2-(hydroxymethyl)-6-{[4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy}oxan-4-yl]oxy}-5-acetamido-2-(hydroxymethyl)-4-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]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

CAS: 127923-85-7

Formula: C43H72N2O33

SMILES: CC1OC(OC2C(NC(C)=O)C(OC3C(O)C(CO)OC(OC4C(CO)OC(O)C(O)C4O)C3O)OC(CO)C2OC2OC(CO)C(O)C(OC3(CC(O)C(NC(C)=O)C(O3)C(O)C(O)CO)C(O)=O)C2O)C(O)C(O)C1O

IUPAC: 2-({2-[(6-{[3,5-dihydroxy-2-(hydroxymethyl)-6-{[4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy}oxan-4-yl]oxy}-5-acetamido-2-(hydroxymethyl)-4-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]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/C43H72N2O33/c1-10-21(55)25(59)28(62)39(68-10)75-34-20(45-12(3)52)38(76-35-23(57)15(6-47)70-40(29(35)63)73-31-17(8-49)69-37(65)27(61)26(31)60)72-18(9-50)32(34)74-41-30(64)36(24(58)16(7-48)71-41)78-43(42(66)67)4-13(53)19(44-11(2)51)33(77-43)22(56)14

Composition: C (45.11%), H (6.34%), N (2.45%), O (46.11%)

Molar Mass: 1145.03

Atom Count: 150

Heavy Atom Count: 78

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 31
Exact Mass 1144.401732786
Formal Charge 0
FSP3 0.93
Hetero Ring Count 6
Hydrogen Bond Acceptor Count 33
Hydrogen Bond Donor Count 21
InChIKey QLSXTAKLCDGTLR-UHFFFAOYNA-N
Lipinski's Rule of Five
Molar Refractivity 235.41
Topological Polar Surface Area 561.17
Polarizability 98.85
Ring Count 6
Rotatable Bond Count 20

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98% <14 Days 127923-85-7 Quote Only