(2R,3R,4S,5S)-4-amino-2-(6-aminopurin-9-yl)-5-(1-methoxyethyl)oxolan-3-ol

C12H18N6O3 — CID 18661226

IUPAC(2R,3R,4S,5S)-4-amino-2-(6-aminopurin-9-yl)-5-(1-methoxyethyl)oxolan-3-ol
SMILESCOC(C)[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1N
InChIInChI=1S/C12H18N6O3/c1-5(20-2)9-6(13)8(19)12(21-9)18-4-17-7-10(14)15-3-16-11(7)18/h3-6,8-9,12,19H,13H2,1-2H3,(H2,14,15,16)/t5?,6-,8+,9+,12+/m0/s1
InChIKeyWQFASJIWYDHNQX-LUBKTKODSA-N
MW294.32 g/mol
LogP-0.97
Rot. Bonds3

About (2R,3R,4S,5S)-4-amino-2-(6-aminopurin-9-yl)-5-(1-methoxyethyl)oxolan-3-ol

(2R,3R,4S,5S)-4-amino-2-(6-aminopurin-9-yl)-5-(1-methoxyethyl)oxolan-3-ol (PubChem CID 18661226) has the molecular formula C12H18N6O3 and a molecular weight of 294.32 g/mol. Its IUPAC name is (2R,3R,4S,5S)-4-amino-2-(6-aminopurin-9-yl)-5-(1-methoxyethyl)oxolan-3-ol.

Molecular Properties

Compound Name(2R,3R,4S,5S)-4-amino-2-(6-aminopurin-9-yl)-5-(1-methoxyethyl)oxolan-3-ol
PubChem CID18661226
Molecular FormulaC12H18N6O3
Molecular Weight294.32 g/mol
Exact Mass294.14
IUPAC Name(2R,3R,4S,5S)-4-amino-2-(6-aminopurin-9-yl)-5-(1-methoxyethyl)oxolan-3-ol
SMILESCOC(C)[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1N
InChIInChI=1S/C12H18N6O3/c1-5(20-2)9-6(13)8(19)12(21-9)18-4-17-7-10(14)15-3-16-11(7)18/h3-6,8-9,12,19H,13H2,1-2H3,(H2,14,15,16)/t5?,6-,8+,9+,12+/m0/s1
InChIKeyWQFASJIWYDHNQX-LUBKTKODSA-N
XLogP-0.97
TPSA134.33 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.32
LogP ≤ 5-0.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze (2R,3R,4S,5S)-4-amino-2-(6-aminopurin-9-yl)-5-(1-methoxyethyl)oxolan-3-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-[(1S)-1-hydroxyethyl]oxolane-3,4-diol
CID 15612716
(2R,5S)-2-(6-aminopurin-9-yl)-5-methoxyoxolane-3,4-diol
CID 67588399
(2R,3R,4S,5S)-2-(6-aminopurin-9-yl)-5-(1-sulfanylpropyl)oxolane-3,4-diol
CID 54190957
(2R,3R,4R,5S)-4-amino-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolan-3-ol
CID 12800105
(2R,3R,4S,5S)-2-(6-aminopurin-9-yl)-5-[bis(methylsulfanyl)methyl]oxolane-3,4-diol
CID 23253577
(2R,3R,4S,5S)-2-(6-aminopurin-9-yl)-5-[[(1R,2R)-2-hydroxycyclopentyl]-methoxymethyl]oxolane-3,4-diol
CID 20727899
(2R,3R,4S,5S)-2-(6-aminopurin-9-yl)-5-[hydroxy(methylselanyl)methyl]oxolane-3,4-diol
CID 90424594
(2R,3S,5S)-2-(6-aminopurin-9-yl)-5-(sulfanylmethyl)oxolane-3,4-diol
CID 59737005
(2S,3S,4R,5R)-2-(6-aminopurin-9-yl)-5-methyloxolane-3,4-diol
CID 676784
(2R,3R,4S,5R)-2-[1-[(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]ethoxy]-5-(hydroxymethyl)oxolane-3,4-diol
CID 67337440
(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-2-(hydroxymethyl)-4-(1-methoxyethoxy)oxolan-3-ol
CID 67529570
(2R,3R,4R,5R,6S)-2-(6-aminopurin-9-yl)-6-methyloxane-3,4,5-triol
CID 54068544

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4S,5S)-4-amino-2-(6-aminopurin-9-yl)-5-(1-methoxyethyl)oxolan-3-ol?
The IUPAC name of (2R,3R,4S,5S)-4-amino-2-(6-aminopurin-9-yl)-5-(1-methoxyethyl)oxolan-3-ol (CID 18661226) is (2R,3R,4S,5S)-4-amino-2-(6-aminopurin-9-yl)-5-(1-methoxyethyl)oxolan-3-ol.
What is the SMILES notation for (2R,3R,4S,5S)-4-amino-2-(6-aminopurin-9-yl)-5-(1-methoxyethyl)oxolan-3-ol?
The canonical SMILES for (2R,3R,4S,5S)-4-amino-2-(6-aminopurin-9-yl)-5-(1-methoxyethyl)oxolan-3-ol is COC(C)[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1N.
What is the InChIKey of (2R,3R,4S,5S)-4-amino-2-(6-aminopurin-9-yl)-5-(1-methoxyethyl)oxolan-3-ol?
The InChIKey is WQFASJIWYDHNQX-LUBKTKODSA-N. The full InChI is InChI=1S/C12H18N6O3/c1-5(20-2)9-6(13)8(19)12(21-9)18-4-17-7-10(14)15-3-16-11(7)18/h3-6,8-9,12,19H,13H2,1-2H3,(H2,14,15,16)/t5?,6-,8+,9+,12+/m0/s1.
What are the key properties of (2R,3R,4S,5S)-4-amino-2-(6-aminopurin-9-yl)-5-(1-methoxyethyl)oxolan-3-ol?
(2R,3R,4S,5S)-4-amino-2-(6-aminopurin-9-yl)-5-(1-methoxyethyl)oxolan-3-ol has a molecular weight of 294.32 g/mol, XLogP of -0.97, 3 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4S,5S)-4-amino-2-(6-aminopurin-9-yl)-5-(1-methoxyethyl)oxolan-3-ol is sourced from PubChem (CID 18661226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).