Pentostatin

CAT: 1299-RM-P201900-02Size: 25 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-P201900-02Size:25 mg

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CAS Number

53910-25-1

Synonyms

(8R) -3- (2-Deoxy-b-D-erythro-pentofuranosyl) -3,4,7,8-tetrahydroimidazo[4,5-d][1,3]diazepin-8-ol

Molecular Formula

C11H16N4O4

Molecular Weight

268.27

Target Alternative Name

Pentostatin

Product Name Synonym

(8R) -3- (2-Deoxy-b-D-erythro-pentofuranosyl) -3,4,7,8-tetrahydroimidazo[4,5-d][1,3]diazepin-8-ol

Chemical Information

Pentostatin

Pentostatin can cause developmental toxicity according to state or federal government labeling requirements.

CAS Number	53910-25-1
PubChem CID	439693
IUPAC Name	(8R)-3-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-7,8-dihydro-4H-imidazo[4,5-d][1,3]diazepin-8-ol
Molecular Formula	C11H16N4O4
Molecular Weight	268.27
XLogP	-2.1
Topological Polar Surface Area	112
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	2
Heavy Atom Count	19
Formal Charge	0
Complexity	356

SMILES

C1[C@@H]([C@H](O[C@H]1N2C=NC3=C2NC=NC[C@H]3O)CO)O

InChI

InChI=1S/C11H16N4O4/c16-3-8-6(17)1-9(19-8)15-5-14-10-7(18)2-12-4-13-11(10)15/h4-9,16-18H,1-3H2,(H,12,13)/t6-,7+,8+,9+/m0/s1

InChIKey

FPVKHBSQESCIEP-JQCXWYLXSA-N

Chemical Structure

2D Structure

CAS: 53910-25-1

CID: 439693

Formula: C11H16N4O4

MW: 268.27

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	268.27
XLogP3	-2.1
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	2
Exact Mass	268.11715500
Monoisotopic Mass	268.11715500
Topological Polar Surface Area	112 Å²
Heavy Atom Count	19
Formal Charge	0
Complexity	356
Isotope Atom Count	0
Defined Atom Stereocenter Count	4
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
P076-1MG	Pentostatin