(2R,5R,6R)-2-(2-amino-6-methoxypurin-9-yl)-6-(hydroxymethyl)oxane-3,5-diol

C12H17N5O5 — CID 148902630

IUPAC(2R,5R,6R)-2-(2-amino-6-methoxypurin-9-yl)-6-(hydroxymethyl)oxane-3,5-diol
SMILESCOc1nc(N)nc2c1ncn2[C@@H]1O[C@H](CO)[C@H](O)CC1O
InChIInChI=1S/C12H17N5O5/c1-21-10-8-9(15-12(13)16-10)17(4-14-8)11-6(20)2-5(19)7(3-18)22-11/h4-7,11,18-20H,2-3H2,1H3,(H2,13,15,16)/t5-,6?,7-,11-/m1/s1
InChIKeyPHCBHBQLNUWCMB-MRYPEJKBSA-N
MW311.30 g/mol
LogP-1.58
Rot. Bonds3

About (2R,5R,6R)-2-(2-amino-6-methoxypurin-9-yl)-6-(hydroxymethyl)oxane-3,5-diol

(2R,5R,6R)-2-(2-amino-6-methoxypurin-9-yl)-6-(hydroxymethyl)oxane-3,5-diol (PubChem CID 148902630) has the molecular formula C12H17N5O5 and a molecular weight of 311.30 g/mol. Its IUPAC name is (2R,5R,6R)-2-(2-amino-6-methoxypurin-9-yl)-6-(hydroxymethyl)oxane-3,5-diol.

Molecular Properties

Compound Name(2R,5R,6R)-2-(2-amino-6-methoxypurin-9-yl)-6-(hydroxymethyl)oxane-3,5-diol
PubChem CID148902630
Molecular FormulaC12H17N5O5
Molecular Weight311.30 g/mol
Exact Mass311.12
IUPAC Name(2R,5R,6R)-2-(2-amino-6-methoxypurin-9-yl)-6-(hydroxymethyl)oxane-3,5-diol
SMILESCOc1nc(N)nc2c1ncn2[C@@H]1O[C@H](CO)[C@H](O)CC1O
InChIInChI=1S/C12H17N5O5/c1-21-10-8-9(15-12(13)16-10)17(4-14-8)11-6(20)2-5(19)7(3-18)22-11/h4-7,11,18-20H,2-3H2,1H3,(H2,13,15,16)/t5-,6?,7-,11-/m1/s1
InChIKeyPHCBHBQLNUWCMB-MRYPEJKBSA-N
XLogP-1.58
TPSA148.77 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.30
LogP ≤ 5-1.58
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Analyze (2R,5R,6R)-2-(2-amino-6-methoxypurin-9-yl)-6-(hydroxymethyl)oxane-3,5-diol with MolForge

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Launch Full Analysis

Related Compounds

(2S,3R)-5-(2-amino-6-methoxypurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol
CID 154710689
(2R,4R,5R)-2-(2-amino-6-methoxypurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
CID 59824768
(2R,5R)-5-(2-amino-6-methoxypurin-9-yl)-4,4-dibromo-2-(hydroxymethyl)oxolan-3-ol
CID 154011880
(2R,3S,5R)-2-(2-amino-6-methoxypurin-9-yl)-5-(hydroxymethyl)-3-methyloxolane-3,4-diol
CID 58455338
(2R,3R,5S)-2-(2-amino-6-ethoxypurin-9-yl)-5-(hydroxymethyl)oxolan-3-ol
CID 144948843
(2R,3R,5R)-5-(2-amino-6-methoxypurin-9-yl)-4,4-difluoro-2-(hydroxymethyl)oxolan-3-ol
CID 57276380
[(2R,3S,4S)-5-(2-amino-6-methoxypurin-9-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl] 3-deuterio-2,2-dimethylpropanoate
CID 139791374
9-[(2R,5R)-3,5-dimethyloxolan-2-yl]-6-methoxypurin-2-amine
CID 144592425
(5R,6R,8R,9R)-6-(2-amino-6-methoxypurin-9-yl)-8-(hydroxymethyl)-1,7-dioxaspiro[4.4]nonan-9-ol
CID 67772128
(2R,3S,4R,5R)-4-amino-5-(2-amino-6-ethoxypurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol
CID 90445106
(2S,3R,5R)-5-(2-bromo-6-methoxypurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol
CID 87921806
[(2S,5R)-5-(2-amino-6-methoxypurin-9-yl)-2,5-dihydrofuran-2-yl]methanol
CID 10611561

Frequently Asked Questions

What is the IUPAC name of (2R,5R,6R)-2-(2-amino-6-methoxypurin-9-yl)-6-(hydroxymethyl)oxane-3,5-diol?
The IUPAC name of (2R,5R,6R)-2-(2-amino-6-methoxypurin-9-yl)-6-(hydroxymethyl)oxane-3,5-diol (CID 148902630) is (2R,5R,6R)-2-(2-amino-6-methoxypurin-9-yl)-6-(hydroxymethyl)oxane-3,5-diol.
What is the SMILES notation for (2R,5R,6R)-2-(2-amino-6-methoxypurin-9-yl)-6-(hydroxymethyl)oxane-3,5-diol?
The canonical SMILES for (2R,5R,6R)-2-(2-amino-6-methoxypurin-9-yl)-6-(hydroxymethyl)oxane-3,5-diol is COc1nc(N)nc2c1ncn2[C@@H]1O[C@H](CO)[C@H](O)CC1O.
What is the InChIKey of (2R,5R,6R)-2-(2-amino-6-methoxypurin-9-yl)-6-(hydroxymethyl)oxane-3,5-diol?
The InChIKey is PHCBHBQLNUWCMB-MRYPEJKBSA-N. The full InChI is InChI=1S/C12H17N5O5/c1-21-10-8-9(15-12(13)16-10)17(4-14-8)11-6(20)2-5(19)7(3-18)22-11/h4-7,11,18-20H,2-3H2,1H3,(H2,13,15,16)/t5-,6?,7-,11-/m1/s1.
What are the key properties of (2R,5R,6R)-2-(2-amino-6-methoxypurin-9-yl)-6-(hydroxymethyl)oxane-3,5-diol?
(2R,5R,6R)-2-(2-amino-6-methoxypurin-9-yl)-6-(hydroxymethyl)oxane-3,5-diol has a molecular weight of 311.30 g/mol, XLogP of -1.58, 3 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5R,6R)-2-(2-amino-6-methoxypurin-9-yl)-6-(hydroxymethyl)oxane-3,5-diol is sourced from PubChem (CID 148902630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).