Hypoxanthine

Thuốc Gốc

Small Molecule

CAS: 68-94-0

CTHH: C₅H₃N₄O

PTK: 135.1035

A purine and a reaction intermediate in the metabolism of adenosine and in the formation of nucleic acids by the salvage pathway. [PubChem]

Nhận Dạng Quốc Tế & Đặc Tính Hóa Học

Công thức hóa học

C₅H₃N₄O

Phân tử khối

135.1035

Monoisotopic mass

135.030685738

InChI

InChI=1S/C5H3N4O/c10-5-3-4(7-1-6-3)8-2-9-5/h1-2H,(H,7,8,9,10)

InChI Key

InChIKey=CWQZZPRFMBHEEG-UHFFFAOYSA-N

IUPAC Name

purin-6-one

Traditional IUPAC Name

hypoxanthine

SMILES

O=C1NC=Nc2ncnc12

Độ tan chảy

150 dec °C

Độ hòa tan

700 mg/L (at 23 °C)

logP

-1.11

logS

-2.29

pKa (strongest acidic)

7.31

pKa (Strongest Basic)

-3.1

PSA

71.53 Å²

Refractivity

33.07 m³·mol^-1

Polarizability

11.43 Å³

Rotatable Bond Count

H Bond Acceptor Count

H Bond Donor Count

Physiological Charge

Number of Rings

Bioavailability

Rule of Five

true

Tài Liệu Tham Khảo Thêm

drugbank

http://www.drugbank.ca/drugs/DB04076

PubChem Compound

http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=790

PubChem Substance

http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=46507200

KEGG Compound

http://www.genome.jp/dbget-bin/www_bget?cpd:C00262

BindingDB

http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50200102

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