2-{4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl}-5-(hydroxymethyl)pyrrolidine-3,4-diol hydrochloride

2-{4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl}-5-(hydroxymethyl)pyrrolidine-3,4-diol hydrochloride

CAS: 222631-44-9

Formula: C11H16ClN5O3

SMILES: Cl.NC1=C2NC=C(C3NC(CO)C(O)C3O)C2=NC=N1

IUPAC: 2-{4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl}-5-(hydroxymethyl)pyrrolidine-3,4-diol hydrochloride

InChI: InChI=1/C11H15N5O3.ClH/c12-11-8-6(14-3-15-11)4(1-13-8)7-10(19)9(18)5(2-17)16-7;/h1,3,5,7,9-10,13,16-19H,2H2,(H2,12,14,15);1H

Composition: C (43.79%), H (5.35%), Cl (11.75%), N (23.21%), O (15.91%)

Molar Mass: 301.73

Atom Count: 36

Heavy Atom Count: 20

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	4
Exact Mass	301.0941671
Formal Charge	0
FSP3	0.45
Hetero Ring Count	3
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	6
InChIKey	PCCHVYNGFMEGIG-UHFFFAOYNA-N
Lipinski's Rule of Five
Molar Refractivity	67.29
Topological Polar Surface Area	140.31
Polarizability	26.8
Ring Count	3
Rotatable Bond Count	2

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98%	<4 Days	222631-44-9		$1,346.87$1,346.87