(2S)-2-[(4-{[(2-amino-5-formyl-4-oxo-1,4,5,6,7,8-hexahydropteridin-6-yl)methyl]amino}phenyl)formamido]pentanedioic acid

Basic Information

View in Editor

CAS Number

58-05-9

Molecular Formula

C20H23N7O7

Molecular Weight

473.45 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Amines

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Laboratory Chemicals Research Chemicals Biochemical Reagents

Basic Physical Properties

Melting Point

240-250°C

Boiling Point

573.92°C (rough estimate)

Refractive Index

1.6800 (estimate)

Specific Rotation

17.2° (c =1, 5% sodium carbonate)

SMILES

View in Editor

C1C(N(C2=C(N1)N=C(NC2=O)N)C=O)CNC3=CC=C(C=C3)C(=O)NC(CCC(=O)O)C(=O)O

InChI

InChI=1S/C20H23N7O7/c21-20-25-16-15(18(32)26-20)27(9-28)12(8-23-16)7-22-11-3-1-10(2-4-11)17(31)24-13(19(33)34)5-6-14(29)30/h1-4,9,12-13,22H,5-8H2,(H,24,31)(H,29,30)(H,33,34)(H4,21,23,25,26,32)/t12?,13-/m0/s1

InChIKey

VVIAGPKUTFNRDU-ABLWVSNPSA-N

LogP

-0.7310999999999965

pKa

3.1, 4.8, 10.4(at 25℃)

Topological Polar Surface Area

219.83999999999995 Å²

Hydrogen Bond Donor/Acceptor

8 / 14

Complexity

911

Safety Information

View Safety Information

Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H317 May cause an allergic skin reaction
Sensitization, Skin

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H334 May cause allergy or asthma symptoms or breathing difficulties if inhaled
Sensitization, respiratory

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

BPBio1_000766
Spectrum2_000116
KBio3_001438
D93089
Prestwick0_000738
KBio2_001339
folinic acid calcium
(2S)-2-[(4-{[(2-amino-5-formyl-4-oxo-1,4,5,6,7,8-hexahydropteridin-6-yl)methyl]amino}phenyl)formamido]pentanedioic acid
KBio2_003907
N-[4-({[2-amino-5-formyl-4-oxo-3,4,5,6,7,8-hexahydropteridin-6-yl]methyl}amino)benzoyl]-L-glutamic acid
L(-)-5-Formyl-5,6,7,8-tetrahydrofolic acid
Prestwick1_000738
(S)-2-{4-[(2-Amino-5-formyl-4-oxo-1,4,5,6,7,8-hexahydro-pteridin-6-ylmethyl)-amino]-benzoylamino}-pentanedioic acid
Glutamic acid, N-(p-(((2-amino-5-formyl-5,6,7,8-tetrahydro-4-hydroxy-6-pteridinyl)methyl)amino)benzoyl)-, L-
N5-Formyltetrahydrofolic acid
Folinic acid calcium salt pentahydrate
Welcovorin
C20-H21-N7-O7.Ca
Q45435667
L-Glutamic acid, N-[4-[[(2-amino-5-formyl-1,4,5,6,7,8-hexahydro-4-oxo-6-pteridinyl)methyl]amino]benzoyl]-, calcium salt(1:1)
58-05-9
CHEMBL1679
5-Formyl-5,6,7,8-tetrahydropteroyl-L-glutamic acid
Spectrum5_000910
5-Formyl-tetrahydrofolate
MFCD00867488
2-{4-[(2-Amino-5-formyl-4-oxo-1,4,5,6,7,8-hexahydro-pteridin-6-ylmethyl)-amino]-benzoylamino}-pentanedioic acid
s5790
HY-17556
Leucoverin
(2S)-2-(4-((2-amino-5-formyl-4-oxo-1,4,5,6,7,8-hexahydropteridin-6-yl)methylamino)benzamido)pentanedioic acid