d(Aattgcaatt)

HCID 129010972

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 80943-73-3
Standard SMILES: Cc1cn(C2CC(OP(=O)(O)OCC3OC(n4cc(C)c(=O)[nH]c4=O)CC3OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)CC3OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)CC3OP(=O)(O)OCC3OC(n4ccc(N)nc4=O)CC3OP(=O)(O)OCC3OC(n4cnc5c(=O)[nH]c(N)nc54)CC3OP(=O)(O)OCC3OC(n4cc(C)c(=O)[nH]c4=O)CC3OP(=O)(O)OCC3OC(n4cc(C)c(=O)[nH]c4=O)CC3OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)CC3OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)CC3O)C(CO)O2)c(=O)[nH]c1=O
InChIKey: SGEMZHZXEBTLTI-GNKOTOBBSA-N
Molecular formula: C99H125N36O58P9
Average molar mass: 3,026 g/mol
Monoisotopic mass: 3,024.557699

Overview

self-complimentary nucleotide

Names & identifiers

Preferred name: d(Aattgcaatt)
IUPAC: [5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[5-(4-amino-2-oxopyrimidin-1-yl)-2-[[[5-(6-aminopurin-9-yl)-2-[[[5-(6-aminopurin-9-yl)-2-[[hydroxy-[2-[[hydroxy-[2-(hydroxymethyl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxyphosphoryl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxyphosphoryl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]oxolan-3-yl] [3-[[3-[[5-(6-aminopurin-9-yl)-3-[[5-(6-aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl hydrogen phosphate
English name: d(AATTGCAATT)
Molecular formula: C99H125N36O58P9
Molecular weight: 3026.03

Names & synonyms

d(Aattgcaatt)d(5' HO-Aattgcaatt-OH 3')80943-73-3Adenosine, thymidylyl-(5'-3')-thymidylyl-(5'-3')-2'-deoxyadenylyl-(5'-3')-2'-deoxyadenylyl-(5'-3')-2'-deoxycytidylyl-(5'-3')-2'-deoxyguanylyl-(5'-3')-thymidylyl-(5'-3')-thymidylyl-(5'-3')-2'-deoxyadenylyl-(5'-3')-2'-deoxy-RefChem:130467Adenosine, thymidylyl-(5'-3')-thymidylyl-(5'-3')-2'-deoxyadenylyl-(5'-3')-2'-deoxyadenylyl-(5'-3')-2'-deoxycytidylyl-(5'-3')-2'-deoxyguanylyl-(5'-3')-thymidylyl-(5'-3')-thymidynyl-(5'-3')-2'-deoxyadenylyl-(5'-3')-2'-deoxy-Adenosine, thymidylyl-(5′→3′)-thymidylyl-(5′→3′)-2′-deoxyadenylyl-(5′→3′)-2′-deoxyadenylyl-(5′→3′)-2′-deoxycytidylyl-(5′→3′)-2′-deoxyguanylyl-(5′→3′)-thymidylyl-(5′→3′)-thymidylyl-(5′→3′)-2′-deoxyadenylyl-(5′→3′)-2′-deoxy-

Database identifiers

Properties

Computed structural properties

XLogP: -17.4
Topological polar surface area: 1,250 Å²
Hydrogen bond donors: 22
Hydrogen bond acceptors: 76
Rotatable bonds: 56
Heavy atoms: 202
Formal charge: 0
Complexity: 7,930

Physicochemical properties

Density: 2.23 · 2.23±0.1 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)

Related reactions

0 records

New reaction record

No reaction records under the current filter.

Compound notes

Loading…