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Sapropterin

CAT: 1596-AR-S09266-04Size: 100 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-S09266-04Size:100 Units
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CAS Number
62989-33-7
Synonyms
(6R) -Tetrahydro-L-biopterin; (R) -2-amino-6- ((1R,2S) -1,2-dihydroxypropyl) -5,6,7,8-tetrahydropteridin-4 (3H) -one
Molecular Formula
C9H15N5O3
Molecular Weight
241.25
API Name
Sapropterin

Chemical Information

Sapropterin

Sapropterin is a tetrahydropterin that is 2-amino-5,6,7,8-tetrahydropteridin-4(3H)-one in which a hydrogen at position 6 is substituted by a 1,2-dihydroxypropyl group (6R,1'R,2'S-enantiomer). It has a role as a coenzyme, a cofactor, a diagnostic agent and a human metabolite.

CAS Number62989-33-7
PubChem CID135398654
IUPAC Name(6R)-2-amino-6-[(1R,2S)-1,2-dihydroxypropyl]-5,6,7,8-tetrahydro-3H-pteridin-4-one
Molecular FormulaC9H15N5O3
Molecular Weight241.25
XLogP-1.9
Topological Polar Surface Area132
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count6
Rotatable Bond Count2
Heavy Atom Count17
Formal Charge0
Complexity405
SMILES
C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O
InChI
InChI=1S/C9H15N5O3/c1-3(15)6(16)4-2-11-7-5(12-4)8(17)14-9(10)13-7/h3-4,6,12,15-16H,2H2,1H3,(H4,10,11,13,14,17)/t3-,4+,6-/m0/s1
InChIKey
FNKQXYHWGSIFBK-RPDRRWSUSA-N
Chemical Structure
2D Structure
2D structure of Sapropterin
CAS: 62989-33-7
CID: 135398654
Formula: C9H15N5O3
MW: 241.25
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight241.25
XLogP3-1.9
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count6
Rotatable Bond Count2
Exact Mass241.11748936
Monoisotopic Mass241.11748936
Topological Polar Surface Area132 Ų
Heavy Atom Count17
Formal Charge0
Complexity405
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
HY-A0124Sapropterin
FT04562-01Sapropterin dihydrochloride
330141Sapropterin HCl
HY-144856S1Sapropterin-d3
HY-A0124A-01Sapropterin (dihydrochloride)
MBS5752335Sapropterin Hydrochloride
RM-R291007-01Sapropterin Impurity 7
RM-R291004-01Sapropterin Impurity 4
RM-R291001-01Sapropterin Impurity 1
RM-R291010-01Sapropterin Impurity 10

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