Pyridoxine Impurity 20

CAT: 1596-AR-P33391-01Size: 10 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-P33391-01Size:10 Units

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CAS Number

36944-85-1

Molecular Formula

C8H10NO5P

Molecular Weight

231.14

API Name

Pyridoxine

Chemical Information

Panadoxine P

CAS Number	36944-85-1
PubChem CID	102576471
IUPAC Name	(2-hydroxy-8-methyl-2-oxo-4H-[1,3,2]dioxaphosphinino[4,5-c]pyridin-5-yl)methanol
Molecular Formula	C8H10NO5P
Molecular Weight	231.14
XLogP	-1.2
Topological Polar Surface Area	88.9
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	1
Heavy Atom Count	15
Formal Charge	0
Complexity	286

SMILES

CC1=NC=C(C2=C1OP(=O)(OC2)O)CO

InChI

InChI=1S/C8H10NO5P/c1-5-8-7(6(3-10)2-9-5)4-13-15(11,12)14-8/h2,10H,3-4H2,1H3,(H,11,12)

InChIKey

AKWWLTUICPVQSH-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 36944-85-1

CID: 102576471

Formula: C8H10NO5P

MW: 231.14

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	231.14
XLogP3	-1.2
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	1
Exact Mass	231.02965942
Monoisotopic Mass	231.02965942
Topological Polar Surface Area	88.9 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	286
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes