2-amino-9-(2,7-dihydroxy-2-oxo-hexahydro-1,3,5,2$l^{5}-furo[3,2-d][1,3,2$l^{5}]dioxaphosphinin-6-yl)-6,9-dihydro-1H-purin-6-one

• ChemBase ID: 103292
• Molecular Formular: C10H12N5O7P
• Molecular Mass: 345.205341
• Monoisotopic Mass: 345.04743438
• SMILES: Nc1nc2c(ncn2C2OC3COP(=O)(O)OC3C2O)c(=O)[nH]1
• Canonical SMILES: OC1C2OP(=O)(O)OCC2OC1n1cnc2c1nc(N)[nH]c2=O
• InChI: InChI=1S/C10H12N5O7P/c11-10-13-7-4(8(17)14-10)12-2-15(7)9-5(16)6-3(21-9)1-20-23(18,19)22-6/h2-3,5-6,9,16H,1H2,(H,18,19)(H3,11,13,14,17)
• InChIKey: ZOOGRGPOEVQQDX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-amino-9-(2,7-dihydroxy-2-oxo-hexahydro-1,3,5,2$l^{5}-furo[3,2-d][1,3,2$l^{5}]dioxaphosphinin-6-yl)-6,9-dihydro-1H-purin-6-one
• IUPAC Traditional name: cyclic gmp
• Synonyms: cGMP; GUANOSINE-3',5'-cyclic-MONOPHOSPHORIC ACID

Database IDs

• CAS Number: 7665-99-8
• EC Number: 231-641-6
• PubChem SID: 162090574
• PubChem CID: 295

CALCULATED PROPERTIES

• Acid pKa: 2.0500584
• H Acceptors: 8
• H Donor: 4
• LogD (pH = 5.5): -4.2590003
• LogD (pH = 7.4): -4.309573
• Log P: -2.0959094
• Molar Refractivity: 71.715 cm^3
• Polarizability: 27.73993 Å^3
• Polar Surface Area: 170.52 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Condition: 0°C

Product Information

• Purity: ~98%

DETAILS

MP Biomedicals - 02151212

White crystalline powder
Free Acid
Purity: ~98%