methyl 4-(6-aminopurin-9-yl)-2,3-dihydroxybutanoate

C10H13N5O4 — CID 585243

IUPACmethyl 4-(6-aminopurin-9-yl)-2,3-dihydroxybutanoate
SMILESCOC(=O)C(O)C(O)Cn1cnc2c(N)ncnc21
InChIInChI=1S/C10H13N5O4/c1-19-10(18)7(17)5(16)2-15-4-14-6-8(11)12-3-13-9(6)15/h3-5,7,16-17H,2H2,1H3,(H2,11,12,13)
InChIKeyDQSWNDKQONYEFS-UHFFFAOYSA-N
MW267.25 g/mol
LogP-1.70
Rot. Bonds4

About methyl 4-(6-aminopurin-9-yl)-2,3-dihydroxybutanoate

methyl 4-(6-aminopurin-9-yl)-2,3-dihydroxybutanoate (PubChem CID 585243) has the molecular formula C10H13N5O4 and a molecular weight of 267.25 g/mol. Its IUPAC name is methyl 4-(6-aminopurin-9-yl)-2,3-dihydroxybutanoate.

Molecular Properties

Compound Namemethyl 4-(6-aminopurin-9-yl)-2,3-dihydroxybutanoate
PubChem CID585243
Molecular FormulaC10H13N5O4
Molecular Weight267.25 g/mol
Exact Mass267.10
IUPAC Namemethyl 4-(6-aminopurin-9-yl)-2,3-dihydroxybutanoate
SMILESCOC(=O)C(O)C(O)Cn1cnc2c(N)ncnc21
InChIInChI=1S/C10H13N5O4/c1-19-10(18)7(17)5(16)2-15-4-14-6-8(11)12-3-13-9(6)15/h3-5,7,16-17H,2H2,1H3,(H2,11,12,13)
InChIKeyDQSWNDKQONYEFS-UHFFFAOYSA-N
XLogP-1.70
TPSA136.38 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.25
LogP ≤ 5-1.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Related Compounds

prop-2-enyl (2R,3R)-4-(6-aminopurin-9-yl)-2,3-dihydroxybutanoate
CID 131879127
2-methoxyethyl 3-(6-aminopurin-9-yl)-2-hydroxypropanoate
CID 5271673
(3R,4S)-5-(6-aminopurin-9-yl)-2-methylidenepentane-1,3,4-triol
CID 10706793
2-acetamido-3-(6-aminopurin-9-yl)propanoic acid
CID 64580913
[2-[(6-aminopurin-9-yl)methoxy]-3-methoxycarbonyloxypropyl] methyl carbonate
CID 70449513
9-(3-fluoro-3-methoxy-2-phosphanylpropyl)purin-6-amine
CID 68636068
9-(3-methoxy-2-phosphanylpropyl)purin-6-amine
CID 57195073
1-(6-aminopurin-9-yl)propan-2-one
CID 14258026
1-[2-aminoethyl-[2-(6-aminopurin-9-yl)-1-hydroxyethyl]amino]propan-2-one
CID 143306855
[(2S)-3-(6-aminopurin-9-yl)-2-hydroxypropyl]phosphonic acid
CID 135336572
ethyl 4-(6-aminopurin-9-yl)-3-oxobutanoate
CID 63899088
9-[2-(methoxymethylamino)ethyl]purin-6-amine
CID 67932489

Frequently Asked Questions

What is the IUPAC name of methyl 4-(6-aminopurin-9-yl)-2,3-dihydroxybutanoate?
The IUPAC name of methyl 4-(6-aminopurin-9-yl)-2,3-dihydroxybutanoate (CID 585243) is methyl 4-(6-aminopurin-9-yl)-2,3-dihydroxybutanoate.
What is the SMILES notation for methyl 4-(6-aminopurin-9-yl)-2,3-dihydroxybutanoate?
The canonical SMILES for methyl 4-(6-aminopurin-9-yl)-2,3-dihydroxybutanoate is COC(=O)C(O)C(O)Cn1cnc2c(N)ncnc21.
What is the InChIKey of methyl 4-(6-aminopurin-9-yl)-2,3-dihydroxybutanoate?
The InChIKey is DQSWNDKQONYEFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5O4/c1-19-10(18)7(17)5(16)2-15-4-14-6-8(11)12-3-13-9(6)15/h3-5,7,16-17H,2H2,1H3,(H2,11,12,13).
What are the key properties of methyl 4-(6-aminopurin-9-yl)-2,3-dihydroxybutanoate?
methyl 4-(6-aminopurin-9-yl)-2,3-dihydroxybutanoate has a molecular weight of 267.25 g/mol, XLogP of -1.70, 4 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(6-aminopurin-9-yl)-2,3-dihydroxybutanoate is sourced from PubChem (CID 585243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).