3-amino-5-[(3-amino-5-{[3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4-hydroxy-6-(hydroxymethyl)oxan-2-yl)oxy]-6-(hydroxymethyl)oxane-2,4-diol

3-amino-5-[(3-amino-5-{[3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4-hydroxy-6-(hydroxymethyl)oxan-2-yl)oxy]-6-(hydroxymethyl)oxane-2,4-diol

CAS: 9012-76-4

Formula: C18H35N3O13

SMILES: NC1C(O)OC(CO)C(OC2OC(CO)C(OC3OC(CO)C(O)C(O)C3N)C(O)C2N)C1O

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

InChI: InChI=1/C18H35N3O13/c19-7-12(27)14(5(2-23)30-16(7)29)33-18-9(21)13(28)15(6(3-24)32-18)34-17-8(20)11(26)10(25)4(1-22)31-17/h4-18,22-29H,1-3,19-21H2

Composition: C (43.11%), H (7.04%), N (8.38%), O (41.47%)

Molar Mass: 501.486

Atom Count: 69

Heavy Atom Count: 34

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	15
Exact Mass	501.216988199
Formal Charge	0
FSP3	1
Hetero Ring Count	3
Hydrogen Bond Acceptor Count	16
Hydrogen Bond Donor Count	11
InChIKey	RQFQJYYMBWVMQG-UHFFFAOYNA-N
Lipinski's Rule of Five
Molar Refractivity	105.72
Topological Polar Surface Area	286.05
Polarizability	45.21
Ring Count	3
Rotatable Bond Count	7

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