(2R,5S)-2-(6-aminopurin-9-yl)-5-methoxyoxolane-3,4-diol

C10H13N5O4 — CID 67588399

IUPAC(2R,5S)-2-(6-aminopurin-9-yl)-5-methoxyoxolane-3,4-diol
SMILESCO[C@H]1O[C@@H](n2cnc3c(N)ncnc32)C(O)C1O
InChIInChI=1S/C10H13N5O4/c1-18-10-6(17)5(16)9(19-10)15-3-14-4-7(11)12-2-13-8(4)15/h2-3,5-6,9-10,16-17H,1H3,(H2,11,12,13)/t5?,6?,9-,10+/m1/s1
InChIKeyZLOIOGIXTYGBLU-MIOKAVIOSA-N
MW267.25 g/mol
LogP-1.37
Rot. Bonds2

About (2R,5S)-2-(6-aminopurin-9-yl)-5-methoxyoxolane-3,4-diol

(2R,5S)-2-(6-aminopurin-9-yl)-5-methoxyoxolane-3,4-diol (PubChem CID 67588399) has the molecular formula C10H13N5O4 and a molecular weight of 267.25 g/mol. Its IUPAC name is (2R,5S)-2-(6-aminopurin-9-yl)-5-methoxyoxolane-3,4-diol.

Molecular Properties

Compound Name(2R,5S)-2-(6-aminopurin-9-yl)-5-methoxyoxolane-3,4-diol
PubChem CID67588399
Molecular FormulaC10H13N5O4
Molecular Weight267.25 g/mol
Exact Mass267.10
IUPAC Name(2R,5S)-2-(6-aminopurin-9-yl)-5-methoxyoxolane-3,4-diol
SMILESCO[C@H]1O[C@@H](n2cnc3c(N)ncnc32)C(O)C1O
InChIInChI=1S/C10H13N5O4/c1-18-10-6(17)5(16)9(19-10)15-3-14-4-7(11)12-2-13-8(4)15/h2-3,5-6,9-10,16-17H,1H3,(H2,11,12,13)/t5?,6?,9-,10+/m1/s1
InChIKeyZLOIOGIXTYGBLU-MIOKAVIOSA-N
XLogP-1.37
TPSA128.54 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.25
LogP ≤ 5-1.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Related Compounds

(2S,3S,4R,5R)-2-(6-aminopurin-9-yl)-5-methyloxolane-3,4-diol
CID 676784
(2R,3R,4R,5R,6S)-2-(6-aminopurin-9-yl)-6-methyloxane-3,4,5-triol
CID 54068544
[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl] dihydrogen phosphate;hydrate
CID 91654157
(2R,3S,5S)-2-(6-aminopurin-9-yl)-5-(sulfanylmethyl)oxolane-3,4-diol
CID 59737005
CID 135030783
CID 135030783
(2R,3S,5R)-2-(6-aminopurin-9-yl)-4-methoxy-5-(methoxymethyl)oxolan-3-ol
CID 58319615
2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
CID 191
(2S)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
CID 163837057
(2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
CID 23279550
(2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-(hydroxy(113C)methyl)(2,3,4,5-13C4)oxolane-3,4-diol
CID 123223819
(2R,3R,4S,5R)-2-(6-(15N)azanylpurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
CID 11129405
methyl 2-[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]acetate
CID 131858771

Frequently Asked Questions

What is the IUPAC name of (2R,5S)-2-(6-aminopurin-9-yl)-5-methoxyoxolane-3,4-diol?
The IUPAC name of (2R,5S)-2-(6-aminopurin-9-yl)-5-methoxyoxolane-3,4-diol (CID 67588399) is (2R,5S)-2-(6-aminopurin-9-yl)-5-methoxyoxolane-3,4-diol.
What is the SMILES notation for (2R,5S)-2-(6-aminopurin-9-yl)-5-methoxyoxolane-3,4-diol?
The canonical SMILES for (2R,5S)-2-(6-aminopurin-9-yl)-5-methoxyoxolane-3,4-diol is CO[C@H]1O[C@@H](n2cnc3c(N)ncnc32)C(O)C1O.
What is the InChIKey of (2R,5S)-2-(6-aminopurin-9-yl)-5-methoxyoxolane-3,4-diol?
The InChIKey is ZLOIOGIXTYGBLU-MIOKAVIOSA-N. The full InChI is InChI=1S/C10H13N5O4/c1-18-10-6(17)5(16)9(19-10)15-3-14-4-7(11)12-2-13-8(4)15/h2-3,5-6,9-10,16-17H,1H3,(H2,11,12,13)/t5?,6?,9-,10+/m1/s1.
What are the key properties of (2R,5S)-2-(6-aminopurin-9-yl)-5-methoxyoxolane-3,4-diol?
(2R,5S)-2-(6-aminopurin-9-yl)-5-methoxyoxolane-3,4-diol has a molecular weight of 267.25 g/mol, XLogP of -1.37, 2 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5S)-2-(6-aminopurin-9-yl)-5-methoxyoxolane-3,4-diol is sourced from PubChem (CID 67588399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).