(2R,3R,4R,5R)-2-(2-amino-6-methoxypurin-9-yl)-5-(methoxymethyl)-3-methyloxolane-3,4-diol

C13H19N5O5 — CID 137381020

IUPAC(2R,3R,4R,5R)-2-(2-amino-6-methoxypurin-9-yl)-5-(methoxymethyl)-3-methyloxolane-3,4-diol
SMILESCOC[C@H]1O[C@@H](n2cnc3c(OC)nc(N)nc32)[C@](C)(O)[C@@H]1O
InChIInChI=1S/C13H19N5O5/c1-13(20)8(19)6(4-21-2)23-11(13)18-5-15-7-9(18)16-12(14)17-10(7)22-3/h5-6,8,11,19-20H,4H2,1-3H3,(H2,14,16,17)/t6-,8-,11-,13-/m1/s1
InChIKeyBXDAPGJTJSLFQD-VHQAPHLWSA-N
MW325.33 g/mol
LogP-0.93
Rot. Bonds4

About (2R,3R,4R,5R)-2-(2-amino-6-methoxypurin-9-yl)-5-(methoxymethyl)-3-methyloxolane-3,4-diol

(2R,3R,4R,5R)-2-(2-amino-6-methoxypurin-9-yl)-5-(methoxymethyl)-3-methyloxolane-3,4-diol (PubChem CID 137381020) has the molecular formula C13H19N5O5 and a molecular weight of 325.33 g/mol. Its IUPAC name is (2R,3R,4R,5R)-2-(2-amino-6-methoxypurin-9-yl)-5-(methoxymethyl)-3-methyloxolane-3,4-diol.

Molecular Properties

Compound Name(2R,3R,4R,5R)-2-(2-amino-6-methoxypurin-9-yl)-5-(methoxymethyl)-3-methyloxolane-3,4-diol
PubChem CID137381020
Molecular FormulaC13H19N5O5
Molecular Weight325.33 g/mol
Exact Mass325.14
IUPAC Name(2R,3R,4R,5R)-2-(2-amino-6-methoxypurin-9-yl)-5-(methoxymethyl)-3-methyloxolane-3,4-diol
SMILESCOC[C@H]1O[C@@H](n2cnc3c(OC)nc(N)nc32)[C@](C)(O)[C@@H]1O
InChIInChI=1S/C13H19N5O5/c1-13(20)8(19)6(4-21-2)23-11(13)18-5-15-7-9(18)16-12(14)17-10(7)22-3/h5-6,8,11,19-20H,4H2,1-3H3,(H2,14,16,17)/t6-,8-,11-,13-/m1/s1
InChIKeyBXDAPGJTJSLFQD-VHQAPHLWSA-N
XLogP-0.93
TPSA137.77 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.33
LogP ≤ 5-0.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Analyze (2R,3R,4R,5R)-2-(2-amino-6-methoxypurin-9-yl)-5-(methoxymethyl)-3-methyloxolane-3,4-diol with MolForge

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Related Compounds

(2R,3S,5R)-2-(2-amino-6-methoxypurin-9-yl)-5-(hydroxymethyl)-3-methyloxolane-3,4-diol
CID 58455338
methyl 2-[[[(2R,3R,4R,5R)-5-(2-amino-6-methoxypurin-9-yl)-3,4-dihydroxy-4-methyloxolan-2-yl]methoxy-[(1-methoxy-4-methyl-1-oxopentan-2-yl)amino]phosphoryl]amino]-4-methylpentanoate
CID 53389584
(5R)-5-[[(2R,3R,4R,5R)-5-(2-amino-6-methoxypurin-9-yl)-3,4-dihydroxy-4-methyloxolan-2-yl]methoxysulfanylmethyl]imidazolidine-2,4-dione
CID 90399062
5-[[(2R,3R,4R,5R)-5-(2-amino-6-methoxypurin-9-yl)-3,4-dihydroxy-4-methyloxolan-2-yl]methoxysulfanylmethyl]imidazolidine-2,4-dione
CID 90055730
butan-2-yl (2S)-2-[[[(2R,3R,4R,5R)-5-(2-amino-6-methoxypurin-9-yl)-3,4-dihydroxy-4-methyloxolan-2-yl]methoxy-[[(2S)-1-butan-2-yloxy-1-oxopropan-2-yl]amino]phosphoryl]amino]propanoate
CID 56926199
propan-2-yl (2S)-3-[[(2R,3R,4R,5R)-5-(2-amino-6-methoxypurin-9-yl)-3,4-dihydroxy-4-methyloxolan-2-yl]methoxysulfanyl]-2-(methoxycarbonylamino)propanoate
CID 90399088
(2R,5R)-5-(2-amino-6-methoxypurin-9-yl)-4,4-dibromo-2-(hydroxymethyl)oxolan-3-ol
CID 154011880
(2R,3R,5R)-5-(2-amino-6-methoxypurin-9-yl)-4,4-difluoro-2-(hydroxymethyl)oxolan-3-ol
CID 57276380
[(2R,3R,4R,5R)-5-(2-amino-6-methoxypurin-9-yl)-4-fluoro-3-hydroxy-4-methyloxolan-2-yl]methyl dihydrogen phosphate
CID 53466214
2-[[[(2R,3R,4R,5R)-5-(2-amino-6-methoxypurin-9-yl)-3,4-dihydroxy-4-methyloxolan-2-yl]methoxy-(pentylamino)phosphoryl]amino]propanoic acid
CID 66978734
propan-2-yl 2-[[[(2R,3S,5R)-5-(2-amino-6-methoxypurin-9-yl)-3,4-dihydroxy-4-methyloxolan-2-yl]methoxy-[(1-oxo-3-phenyl-1-propan-2-yloxypropan-2-yl)amino]phosphoryl]amino]-3-phenylpropanoate
CID 58455345
ethyl 1-[[[(2R,4S,5R)-5-(2-amino-6-methoxypurin-9-yl)-3,4-dihydroxy-4-methyloxolan-2-yl]methoxy-(propan-2-ylamino)phosphoryl]amino]cyclopentane-1-carboxylate
CID 70800347

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4R,5R)-2-(2-amino-6-methoxypurin-9-yl)-5-(methoxymethyl)-3-methyloxolane-3,4-diol?
The IUPAC name of (2R,3R,4R,5R)-2-(2-amino-6-methoxypurin-9-yl)-5-(methoxymethyl)-3-methyloxolane-3,4-diol (CID 137381020) is (2R,3R,4R,5R)-2-(2-amino-6-methoxypurin-9-yl)-5-(methoxymethyl)-3-methyloxolane-3,4-diol.
What is the SMILES notation for (2R,3R,4R,5R)-2-(2-amino-6-methoxypurin-9-yl)-5-(methoxymethyl)-3-methyloxolane-3,4-diol?
The canonical SMILES for (2R,3R,4R,5R)-2-(2-amino-6-methoxypurin-9-yl)-5-(methoxymethyl)-3-methyloxolane-3,4-diol is COC[C@H]1O[C@@H](n2cnc3c(OC)nc(N)nc32)[C@](C)(O)[C@@H]1O.
What is the InChIKey of (2R,3R,4R,5R)-2-(2-amino-6-methoxypurin-9-yl)-5-(methoxymethyl)-3-methyloxolane-3,4-diol?
The InChIKey is BXDAPGJTJSLFQD-VHQAPHLWSA-N. The full InChI is InChI=1S/C13H19N5O5/c1-13(20)8(19)6(4-21-2)23-11(13)18-5-15-7-9(18)16-12(14)17-10(7)22-3/h5-6,8,11,19-20H,4H2,1-3H3,(H2,14,16,17)/t6-,8-,11-,13-/m1/s1.
What are the key properties of (2R,3R,4R,5R)-2-(2-amino-6-methoxypurin-9-yl)-5-(methoxymethyl)-3-methyloxolane-3,4-diol?
(2R,3R,4R,5R)-2-(2-amino-6-methoxypurin-9-yl)-5-(methoxymethyl)-3-methyloxolane-3,4-diol has a molecular weight of 325.33 g/mol, XLogP of -0.93, 4 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4R,5R)-2-(2-amino-6-methoxypurin-9-yl)-5-(methoxymethyl)-3-methyloxolane-3,4-diol is sourced from PubChem (CID 137381020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).