5'-Guanilil imidodifosfat

Identifikacija

CAS registarski broj

34273-04-6^Y

PubChem^[1]^[2]

36735

Jmol-3D slike

Slika 1

SMILES

NC1=NC(=O)c2ncn([C@@H]3O[C@H](COP(=O)(O)OP(=O)(O)NP(=O)(O)O)[C@@H](O)[C@H]3O)c2N1

InChI
InChI=1S/C10H17N6O13P3/c11-10-13-7-4(8(19)14-10)12-2-16(7)9-6(18)5(17)3(28-9)1-27-32(25,26)29-31(23,24)15-30(20,21)22/h2-3,5-6,9,17-18H,1H2,(H,25,26)(H3,11,13,14,19)(H4,15,20,21,22,23,24)/t3-,5-,6-,9-/m1/s1^Y Kod: UQABYHGXWYXDTK-UUOKFMHZSA-N^Y

Svojstva

Molekulska formula

C₁₀H₁₇N₆O₁₃P₃

Molarna masa

522.2 g mol⁻¹

Ukoliko nije drugačije napomenuto, podaci se odnose na standardno stanje (25 °C, 100 kPa) materijala

Infobox references

5'-Guanilil imidodifosfat je organsko jedinjenje, koje sadrži 10 atoma ugljenika i ima molekulsku masu od 522,196 Da.

Osobine

Osobina	Vrednost
Broj akceptora vodonika	17
Broj donora vodonika	9
Broj rotacionih veza	8
Particioni koeficijent^[3] (ALogP)	-3,6
Rastvorljivost^[4] (logS, log(mol/L))	1,5
Polarna površina^[5] (PSA, Å²)	327,0

↑ Li Q, Cheng T, Wang Y, Bryant SH (2010). „PubChem as a public resource for drug discovery.”. Drug Discov Today 15 (23-24): 1052-7. DOI:10.1016/j.drudis.2010.10.003. PMID 20970519. edit
↑ Evan E. Bolton, Yanli Wang, Paul A. Thiessen, Stephen H. Bryant (2008). „Chapter 12 PubChem: Integrated Platform of Small Molecules and Biological Activities”. Annual Reports in Computational Chemistry 4: 217-241. DOI:10.1016/S1574-1400(08)00012-1.
↑ Ghose, A.K., Viswanadhan V.N., and Wendoloski, J.J. (1998). „Prediction of Hydrophobic (Lipophilic) Properties of Small Organic Molecules Using Fragment Methods: An Analysis of AlogP and CLogP Methods”. J. Phys. Chem. A 102: 3762-3772. DOI:10.1021/jp980230o.
↑ Tetko IV, Tanchuk VY, Kasheva TN, Villa AE. (2001). „Estimation of Aqueous Solubility of Chemical Compounds Using E-State Indices”. Chem Inf. Comput. Sci. 41: 1488-1493. DOI:10.1021/ci000392t. PMID 11749573.
↑ Ertl P., Rohde B., Selzer P. (2000). „Fast calculation of molecular polar surface area as a sum of fragment based contributions and its application to the prediction of drug transport properties”. J. Med. Chem. 43: 3714-3717. DOI:10.1021/jm000942e. PMID 11020286.

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