cyclobutane_dCdT – cyclobutane 2'-deoxycytidine 2'-deoxythymidine

Name
WID	cyclobutane_dCdT
Name	cyclobutane 2'-deoxycytidine 2'-deoxythymidine
Traditional name	5-amino-1,8-bis[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-4a-methyl-3,4b,8a,8b-tetrahydro-1,3,6,8-tetraazabiphenylene-2,4,7-trione
IUPAC name	5-amino-1,8-bis[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-4a-methyl-1,2,3,4,4a,4b,7,8,8a,8b-decahydro-1,3,6,8-tetraazabiphenylene-2,4,7-trione

Classification
Type	modified_deoxyribonucleoside

Structure
Empirical formula (pH 7.5)	H₂₇C₁₉N₅O₉
SMILES (pH 7.5)	C1C(C(OC1N2C3C(C(=NC2=O)N)C4(C)C3N(C(=O)NC4=O)C5CC(C(O5)CO)O)CO)O
Charge (pH 7.5)	0
Is hydrophobic	False
Molecular weight (Da)	469.44
van der Waals volume (pH 7.5; Å³ molecule^‑1)	389.16
pI	7.03
logP	-3.89
logD (pH 7.5)	-3.89

Function
Reaction participant	5'-nucleotidase (cyclobutane 2'-deoxycytidine monophosphate 2'-deoxythymidine monophosphate) [c]: cyclobutane_dCMPdTMP + (2) H2O ⇒ cyclobutane_dCdT + (2) PI cyclobutane 2'-deoxycytidine 2'-deoxythymidine transport cyclobutane_dCdT[e] ⇔ cyclobutane_dCdT[c]

Metadata
Created	2012-10-01 15:06:53
Last updated	2012-10-01 15:11:59