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10-formyltetrahydrofolic acid

CAT: 1266-JH666314Size: 1 EachDry Ice: NoHazardous: No
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CAT#:1266-JH666314Size:1 Each
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CAS Number
2800-34-2
UN Code
UN 2810
Hazard Statement
Xi; C
Stability
Stable at normal temperatures and pressures.
Molecular Formula
C20H23N7O7
Molecular Weight
473.44
Product Name Synonym
10-Formyl-5,6,7,8-tetrahydrofolic acid
Physical Properties
Clear yellow liquid
Hazardous Class
6.1
Safety Statements
S26
Density
0.916 g/cm3
Flash Point
62.168oC
RIDADR
UN 2810
Melting Point
131-132oC

Chemical Information

10-Formyltetrahydrofolate

N10-Formyl-THF is a metabolite found in or produced by Escherichia coli (strain K12, MG1655).

CAS Number2800-34-2
PubChem CID135450591
IUPAC Name(2S)-2-[[4-[(2-amino-4-oxo-5,6,7,8-tetrahydro-3H-pteridin-6-yl)methyl-formylamino]benzoyl]amino]pentanedioic acid
Molecular FormulaC20H23N7O7
Molecular Weight473.4
XLogP-1.2
Topological Polar Surface Area216
Hydrogen Bond Donor Count7
Hydrogen Bond Acceptor Count10
Rotatable Bond Count9
Heavy Atom Count34
Formal Charge0
Complexity911
SMILES
C1C(NC2=C(N1)N=C(NC2=O)N)CN(C=O)C3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O
InChI
InChI=1S/C20H23N7O7/c21-20-25-16-15(18(32)26-20)23-11(7-22-16)8-27(9-28)12-3-1-10(2-4-12)17(31)24-13(19(33)34)5-6-14(29)30/h1-4,9,11,13,23H,5-8H2,(H,24,31)(H,29,30)(H,33,34)(H4,21,22,25,26,32)/t11?,13-/m0/s1
InChIKey
AUFGTPPARQZWDO-YUZLPWPTSA-N
Chemical Structure
2D Structure
2D structure of 10-Formyltetrahydrofolate
CAS: 2800-34-2
CID: 135450591
Formula: C20H23N7O7
MW: 473.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight473.4
XLogP3-1.2
Hydrogen Bond Donor Count7
Hydrogen Bond Acceptor Count10
Rotatable Bond Count9
Exact Mass473.16589610
Monoisotopic Mass473.16589610
Topological Polar Surface Area216 Ų
Heavy Atom Count34
Formal Charge0
Complexity911
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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