AICAR 3’,5’-Cyclic Phosphate

CAT: 0572-TRC-A440500-50MGSize: 50 mgDry Ice: NoHazardous: No

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CAT#:0572-TRC-A440500-50MGSize:50 mg

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CAS Number

35908-14-6

Hazard Statement

Not a hazardous substance according to GHS.

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NC(=O)c1c(N)ncn1[C@@H]2O[C@@H]3COP(=O)(O)O[C@H]3[C@H]2O

Molecular Formula

C9 H13 N4 O7 P

Molecular Weight

320.2

InChI

InChI=1S/C9H13N4O7P/c10-7-4(8(11)15)13(2-12-7)9-5(14)6-3(19-9)1-18-21(16,17)20-6/h2-3,5-6,9,14H,1,10H2,(H2,11,15)(H,16,17)/t3-,5-,6-,9-/m1/s1

Additionnal Information

IUPAC name: 3-[(4aR,6R,7R,7aS)-2,7-dihydroxy-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]-5-aminoimidazole-4-carboxamide

Shipping Conditions

Room Temperature

Storage Conditions

-20°C

Chemical Information

CID 340730

CAS Number	35908-14-6
PubChem CID	340730
IUPAC Name	5-amino-1-(2,7-dihydroxy-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl)imidazole-4-carboxamide
Molecular Formula	C9H13N4O7P
Molecular Weight	320.20
XLogP	-2.8
Topological Polar Surface Area	172
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	2
Heavy Atom Count	21
Formal Charge	0
Complexity	493

SMILES

C1C2C(C(C(O2)N3C=NC(=C3N)C(=O)N)O)OP(=O)(O1)O

InChI

InChI=1S/C9H13N4O7P/c10-7-4(8(11)15)12-2-13(7)9-5(14)6-3(19-9)1-18-21(16,17)20-6/h2-3,5-6,9,14H,1,10H2,(H2,11,15)(H,16,17)

InChIKey

QQDWJBYNAORJHB-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 35908-14-6

CID: 340730

Formula: C9H13N4O7P

MW: 320.20

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	320.20
XLogP3	-2.8
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	2
Exact Mass	320.05218576
Monoisotopic Mass	320.05218576
Topological Polar Surface Area	172 Å²
Heavy Atom Count	21
Formal Charge	0
Complexity	493
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	4
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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Alternative Products

Catalog	Name
295328-01	AICAR 3',5'-cyclic phosphate
001720	AICAR 3’,5’-Cyclic Phosphate
HY-13417A-01	AICAR (phosphate)
MBS5754490	AICAR phosphate
HY-13417AR-01	AICAR (phosphate) (Standard)
A21354-25	AICAR phosphate 25mg
A21354-50	AICAR phosphate 50mg
A21354-500	AICAR phosphate 500mg
A21354-200	AICAR phosphate 200mg
A21354-100	AICAR phosphate 100mg

AICAR 3’,5’-Cyclic Phosphate

Chemical Information

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