(2R,3R,4R)-5-(6-amino-2-ethylpurin-9-yl)-2-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-4-methoxyoxolan-3-ol

C17H28N5O3P — CID 159260197

IUPAC(2R,3R,4R)-5-(6-amino-2-ethylpurin-9-yl)-2-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-4-methoxyoxolan-3-ol
SMILESC=P(C)(C)CC[C@H]1OC(n2cnc3c(N)nc(CC)nc32)[C@H](OC)[C@@H]1O
InChIInChI=1S/C17H28N5O3P/c1-6-11-20-15(18)12-16(21-11)22(9-19-12)17-14(24-2)13(23)10(25-17)7-8-26(3,4)5/h9-10,13-14,17,23H,3,6-8H2,1-2,4-5H3,(H2,18,20,21)/t10-,13-,14-,17?/m1/s1
InChIKeyIWUUDODKMPKHJJ-NVONZOAYSA-N
MW381.42 g/mol
LogP1.34
Rot. Bonds6

About (2R,3R,4R)-5-(6-amino-2-ethylpurin-9-yl)-2-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-4-methoxyoxolan-3-ol

(2R,3R,4R)-5-(6-amino-2-ethylpurin-9-yl)-2-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-4-methoxyoxolan-3-ol (PubChem CID 159260197) has the molecular formula C17H28N5O3P and a molecular weight of 381.42 g/mol. Its IUPAC name is (2R,3R,4R)-5-(6-amino-2-ethylpurin-9-yl)-2-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-4-methoxyoxolan-3-ol.

Molecular Properties

Compound Name(2R,3R,4R)-5-(6-amino-2-ethylpurin-9-yl)-2-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-4-methoxyoxolan-3-ol
PubChem CID159260197
Molecular FormulaC17H28N5O3P
Molecular Weight381.42 g/mol
Exact Mass381.19
IUPAC Name(2R,3R,4R)-5-(6-amino-2-ethylpurin-9-yl)-2-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-4-methoxyoxolan-3-ol
SMILESC=P(C)(C)CC[C@H]1OC(n2cnc3c(N)nc(CC)nc32)[C@H](OC)[C@@H]1O
InChIInChI=1S/C17H28N5O3P/c1-6-11-20-15(18)12-16(21-11)22(9-19-12)17-14(24-2)13(23)10(25-17)7-8-26(3,4)5/h9-10,13-14,17,23H,3,6-8H2,1-2,4-5H3,(H2,18,20,21)/t10-,13-,14-,17?/m1/s1
InChIKeyIWUUDODKMPKHJJ-NVONZOAYSA-N
XLogP1.34
TPSA108.31 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.42
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

(2R,3R,4S,5R)-2-(6-amino-2-butylpurin-9-yl)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]oxolane-3,4-diol;(2R,3R,4S,5R)-2-(6-amino-2-ethylpurin-9-yl)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]oxolane-3,4-diol;bis((2R,3R,4S,5R)-2-(6-amino-2-methylpurin-9-yl)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]oxolane-3,4-diol);(2R,3R,4S,5R)-2-(6-amino-2-propylpurin-9-yl)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]oxolane-3,4-diol
CID 158847068
(2R,3R,4R,5R)-5-(6-amino-2-ethylpurin-9-yl)-2-(hydroxymethyl)-4-sulfanyloxolan-3-ol
CID 87390993
2-amino-9-[(2R,3R,4R,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3-fluoro-4-hydroxyoxolan-2-yl]-1H-purin-6-one
CID 136643135
(4R,5R)-2-(2,6-diaminopurin-9-yl)-4-methoxy-5-(methoxymethyl)oxolan-3-ol
CID 90346189
(2R,5R)-2-(2,6-diaminopurin-9-yl)-4-methoxy-5-(methoxymethyl)oxolan-3-ol
CID 67642663
5-(6-aminopurin-9-yl)-4-methoxy-2-(methoxymethyl)oxolan-3-ol
CID 19076332
N-[6-amino-9-[(2R,3R,4R,5R)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]purin-2-yl]-2-methylpropanamide
CID 90477183
(3R,4R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-2-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-4-fluorooxolan-3-ol
CID 129128392
[(2R,4S,5R)-5-(6-aminopurin-9-yl)-3-hydroxy-4-methoxyoxolan-2-yl]methyl dihydrogen phosphate
CID 172638487
(2R,3S,4S,5R,6R,7R)-7-(6-aminopurin-9-yl)-2-(hydroxymethyl)-6-methoxyoxepane-3,4,5-triol
CID 58940512
(3R,4R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-4-bromo-2-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]oxolan-3-ol
CID 129128394
(2R,3R,4R,5S)-5-[6-amino-2-(3,4-difluorophenoxy)purin-9-yl]-2-(hydroxymethyl)-4-methoxyoxolan-3-ol
CID 24780094

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4R)-5-(6-amino-2-ethylpurin-9-yl)-2-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-4-methoxyoxolan-3-ol?
The IUPAC name of (2R,3R,4R)-5-(6-amino-2-ethylpurin-9-yl)-2-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-4-methoxyoxolan-3-ol (CID 159260197) is (2R,3R,4R)-5-(6-amino-2-ethylpurin-9-yl)-2-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-4-methoxyoxolan-3-ol.
What is the SMILES notation for (2R,3R,4R)-5-(6-amino-2-ethylpurin-9-yl)-2-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-4-methoxyoxolan-3-ol?
The canonical SMILES for (2R,3R,4R)-5-(6-amino-2-ethylpurin-9-yl)-2-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-4-methoxyoxolan-3-ol is C=P(C)(C)CC[C@H]1OC(n2cnc3c(N)nc(CC)nc32)[C@H](OC)[C@@H]1O.
What is the InChIKey of (2R,3R,4R)-5-(6-amino-2-ethylpurin-9-yl)-2-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-4-methoxyoxolan-3-ol?
The InChIKey is IWUUDODKMPKHJJ-NVONZOAYSA-N. The full InChI is InChI=1S/C17H28N5O3P/c1-6-11-20-15(18)12-16(21-11)22(9-19-12)17-14(24-2)13(23)10(25-17)7-8-26(3,4)5/h9-10,13-14,17,23H,3,6-8H2,1-2,4-5H3,(H2,18,20,21)/t10-,13-,14-,17?/m1/s1.
What are the key properties of (2R,3R,4R)-5-(6-amino-2-ethylpurin-9-yl)-2-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-4-methoxyoxolan-3-ol?
(2R,3R,4R)-5-(6-amino-2-ethylpurin-9-yl)-2-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-4-methoxyoxolan-3-ol has a molecular weight of 381.42 g/mol, XLogP of 1.34, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4R)-5-(6-amino-2-ethylpurin-9-yl)-2-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-4-methoxyoxolan-3-ol is sourced from PubChem (CID 159260197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).