Molecule

({[(2S,3R,4S,5S)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy(hydroxy)phosphoryl}oxy(hydroxy)phosphoryl)oxyphosphonic acid

AlkaPlorer ID: AK325096

Synonym: None

IUPAC Name: [[(2S,3R,4S,5S)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate

Structure

SMILES: NC1=NC=NC2=C1N=CN2[C@H]1O[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@H](O)[C@@H]1O

InChI: InChI=1S/C10H16N5O13P3/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(26-10)1-25-30(21,22)28-31(23,24)27-29(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H,23,24)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m0/s1

InChIKey: ZKHQWZAMYRWXGA-DEGSGYPDSA-N

Reference

PubChem CID: 14308007

SuperNatural Ⅲ: SN0472720-03

NPASS: NPC54152

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Uvaria calamistrata	Uvaria	Annonaceae	Magnoliales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Passiflora incarnata	Passiflora	Passifloraceae	Malpighiales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Nicotiana undulata	Nicotiana	Solanaceae	Solanales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Dacrydium cupressinum	Dacrydium	Podocarpaceae	Araucariales	Pinopsida	Streptophyta	Viridiplantae	Eukaryota
Alstonia muelleriana	Alstonia	Apocynaceae	Gentianales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Senecio paludaffinis	Senecio	Asteraceae	Asterales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Glycine tomentella	Glycine	Fabaceae	Fabales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Pterocladiella tenuis	Pterocladiella	Pterocladiaceae	Gelidiales	Florideophyceae	Rhodophyta	None	Eukaryota
Haematococcus lacustris	Haematococcus	Haematococcaceae	Chlamydomonadales	Chlorophyceae	Chlorophyta	Viridiplantae	Eukaryota
Hypoxylon rubiginosum	Hypoxylon	Hypoxylaceae	Xylariales	Sordariomycetes	Ascomycota	Fungi	Eukaryota
Trigonella grandiflora	Trigonella	Fabaceae	Fabales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Tripolium pannonicum	Tripolium	Asteraceae	Asterales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Artemisia cina	Artemisia	Asteraceae	Asterales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota

Properties Information

Molecule Weight: 507.1820000000001

TPSA？: 279.13

MolLogP？: -1.629000000000001

Number of H-Donors: 7

Number of H-Acceptors: 14

RingCount: 3

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi

Metabolism Information

AKRT ID	Reaction	Reaction Link ID
AKRT022253	Nc1ncnc2c1ncn2[C@H]1O[C@@H](COP(=O)(O)OP(=O)(O)O)[C@H](O)[C@@H]1O>>Nc1ncnc2c1ncn2[C@H]1O[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@H](O)[C@@H]1O	enzymemap_47713
AKRT022254	Nc1ncnc2c1ncn2[C@H]1O[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@H](O)[C@@H]1O>>Nc1ncnc2c1ncn2[C@H]1O[C@@H](COP(=O)(O)OP(=O)(O)O)[C@H](O)[C@@H]1O	enzymemap_47709