7-Hydroxy aminopterin

CAS

97772-99-1

Catalog Number

ACM97772991

Category

Other Products

Molecular Weight

456.41

Molecular Formula

C₁₉H₂₀N₈O₆

MSDS COA Spec Sheet

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Specification

Synonyms

N-[4-[[(2,4-Diamino-7,8-dihydro-7-oxo-6-pteridinyl)methyl]amino]benzoyl]-L-glutamic Acid; N-[p-[[(2,4-Diamino-7-hydroxy-6-pteridinyl)methyl]amino]benzoyl]-L-glutamic Acid; N-[4-[[(2,4-Diamino-1,7-dihydro-7-oxo-6-pteridinyl)methyl]amino]benzoyl]- L-Glutamic Acid;

IUPAC Name

(2S)-2-[[4-[(2,4-diamino-7-oxo-8H-pteridin-6-yl)methylamino]benzoyl]amino]pentanedioic acid

Canonical SMILES

C1=CC(=CC=C1C(=O)NC(CCC(=O)O)C(=O)O)NCC2=NC3=C(NC2=O)N=C(N=C3N)N

InChI Key

KTRAZHHNSREJAS-JTQLQIEISA-N

Exact Mass

456.15100

H-Bond Acceptor

H-Bond Donor

What is the molecular formula of 7-Hydroxy aminopterin?

The molecular formula of 7-Hydroxy aminopterin is C19H20N8O6.

What are the synonyms of 7-Hydroxy aminopterin?

The synonyms of 7-Hydroxy aminopterin are 97772-99-1, (2S)-2-[[4-[(2,4-diamino-7-oxo-8H-pteridin-6-yl)methylamino]benzoyl]amino]pentanedioic acid, DTXSID50857708, and N-(4-{[(2,4-Diamino-7-oxo-7,8-dihydropteridin-6-yl)methyl]amino}benzoyl)-L-glutamic acid.

What is the molecular weight of 7-Hydroxy aminopterin?

The molecular weight of 7-Hydroxy aminopterin is 456.4 g/mol.

What is the IUPAC name of 7-Hydroxy aminopterin?

The IUPAC name of 7-Hydroxy aminopterin is (2S)-2-[[4-[(2,4-diamino-7-oxo-8H-pteridin-6-yl)methylamino]benzoyl]amino]pentanedioic acid.

What is the InChI of 7-Hydroxy aminopterin?

The InChI of 7-Hydroxy aminopterin is InChI=1S/C19H20N8O6/c20-14-13-15(27-19(21)25-14)26-17(31)11(23-13)7-22-9-3-1-8(2-4-9)16(30)24-10(18(32)33)5-6-12(28)29/h1-4,10,22H,5-7H2,(H,24,30)(H,28,29)(H,32,33)(H5,20,21,25,26,27,31)/t10-/m0/s1.

What is the InChIKey of 7-Hydroxy aminopterin?

The InChIKey of 7-Hydroxy aminopterin is KTRAZHHNSREJAS-JTQLQIEISA-N.

What is the canonical SMILES of 7-Hydroxy aminopterin?

The canonical SMILES of 7-Hydroxy aminopterin is C1=CC(=CC=C1C(=O)NC(CCC(=O)O)C(=O)O)NCC2=NC3=C(N=C(N=C3NC2=O)N)N.

How many hydrogen bond donor count does 7-Hydroxy aminopterin have?

7-Hydroxy aminopterin has 7 hydrogen bond donor count.

How many hydrogen bond acceptor count does 7-Hydroxy aminopterin have?

7-Hydroxy aminopterin has 12 hydrogen bond acceptor count.

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