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7,8-Dihydro-biopterin

CAT: 0926-FD04487-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0926-FD04487-01Size:25 mg
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CAS Number
6779-87-9
MDL Number
MFCD00049357
Smiles
CC (C (C1=NC2=C (NC1) N=C (NC2=O) N) O) O
Molecular Formula
C9H13N5O3
Molecular Weight
239.23 g/mol
Controlled
No

Chemical Information

7,8-Dihydro-L-biopterin

L-erythro-7,8-dihydrobiopterin is a 7,8-dihydrobiopterin in which the 1,2-dihydroxypropyl group has (1R,2S)-configuration; naturally occurring form. It is an enantiomer of a D-erythro-7,8-dihydrobiopterin.

CAS Number6779-87-9
PubChem CID135398687
IUPAC Name2-amino-6-[(1R,2S)-1,2-dihydroxypropyl]-7,8-dihydro-3H-pteridin-4-one
Molecular FormulaC9H13N5O3
Molecular Weight239.23
XLogP-2.2
Topological Polar Surface Area132
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count6
Rotatable Bond Count2
Heavy Atom Count17
Formal Charge0
Complexity454
SMILES
C[C@@H]([C@@H](C1=NC2=C(NC1)N=C(NC2=O)N)O)O
InChI
InChI=1S/C9H13N5O3/c1-3(15)6(16)4-2-11-7-5(12-4)8(17)14-9(10)13-7/h3,6,15-16H,2H2,1H3,(H4,10,11,13,14,17)/t3-,6-/m0/s1
InChIKey
FEMXZDUTFRTWPE-DZSWIPIPSA-N
Chemical Structure
2D Structure
2D structure of 7,8-Dihydro-L-biopterin
CAS: 6779-87-9
CID: 135398687
Formula: C9H13N5O3
MW: 239.23
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight239.23
XLogP3-2.2
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count6
Rotatable Bond Count2
Exact Mass239.10183929
Monoisotopic Mass239.10183929
Topological Polar Surface Area132 Ų
Heavy Atom Count17
Formal Charge0
Complexity454
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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