(2R,3R,4R,5R)-5-(4-amino-5-methoxy-2-methylidenepyrimidin-1-yl)-2-[1-[dimethyl(methylidene)-λ5-phosphanyl]propan-2-yl]-4-methoxyoxolan-3-ol

C17H30N3O4P — CID 158979990

IUPAC(2R,3R,4R,5R)-5-(4-amino-5-methoxy-2-methylidenepyrimidin-1-yl)-2-[1-[dimethyl(methylidene)-λ5-phosphanyl]propan-2-yl]-4-methoxyoxolan-3-ol
SMILESC=C1N=C(N)C(OC)=CN1[C@@H]1O[C@H](C(C)CP(=C)(C)C)[C@@H](O)[C@H]1OC
InChIInChI=1S/C17H30N3O4P/c1-10(9-25(5,6)7)14-13(21)15(23-4)17(24-14)20-8-12(22-3)16(18)19-11(20)2/h8,10,13-15,17,21H,2,5,9H2,1,3-4,6-7H3,(H2,18,19)/t10?,13-,14-,15-,17-/m1/s1
InChIKeyPFCPTRYWKNILGC-GLLUZWMVSA-N
MW371.42 g/mol
LogP1.06
Rot. Bonds6

About (2R,3R,4R,5R)-5-(4-amino-5-methoxy-2-methylidenepyrimidin-1-yl)-2-[1-[dimethyl(methylidene)-λ5-phosphanyl]propan-2-yl]-4-methoxyoxolan-3-ol

(2R,3R,4R,5R)-5-(4-amino-5-methoxy-2-methylidenepyrimidin-1-yl)-2-[1-[dimethyl(methylidene)-λ5-phosphanyl]propan-2-yl]-4-methoxyoxolan-3-ol (PubChem CID 158979990) has the molecular formula C17H30N3O4P and a molecular weight of 371.42 g/mol. Its IUPAC name is (2R,3R,4R,5R)-5-(4-amino-5-methoxy-2-methylidenepyrimidin-1-yl)-2-[1-[dimethyl(methylidene)-λ5-phosphanyl]propan-2-yl]-4-methoxyoxolan-3-ol.

Molecular Properties

Compound Name(2R,3R,4R,5R)-5-(4-amino-5-methoxy-2-methylidenepyrimidin-1-yl)-2-[1-[dimethyl(methylidene)-λ5-phosphanyl]propan-2-yl]-4-methoxyoxolan-3-ol
PubChem CID158979990
Molecular FormulaC17H30N3O4P
Molecular Weight371.42 g/mol
Exact Mass371.20
IUPAC Name(2R,3R,4R,5R)-5-(4-amino-5-methoxy-2-methylidenepyrimidin-1-yl)-2-[1-[dimethyl(methylidene)-λ5-phosphanyl]propan-2-yl]-4-methoxyoxolan-3-ol
SMILESC=C1N=C(N)C(OC)=CN1[C@@H]1O[C@H](C(C)CP(=C)(C)C)[C@@H](O)[C@H]1OC
InChIInChI=1S/C17H30N3O4P/c1-10(9-25(5,6)7)14-13(21)15(23-4)17(24-14)20-8-12(22-3)16(18)19-11(20)2/h8,10,13-15,17,21H,2,5,9H2,1,3-4,6-7H3,(H2,18,19)/t10?,13-,14-,15-,17-/m1/s1
InChIKeyPFCPTRYWKNILGC-GLLUZWMVSA-N
XLogP1.06
TPSA89.54 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.42
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze (2R,3R,4R,5R)-5-(4-amino-5-methoxy-2-methylidenepyrimidin-1-yl)-2-[1-[dimethyl(methylidene)-λ5-phosphanyl]propan-2-yl]-4-methoxyoxolan-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

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4R,5R)-5-(4-amino-5-methoxy-2-methylidenepyrimidin-1-yl)-2-[1-[dimethyl(methylidene)-λ5-phosphanyl]propan-2-yl]-4-methoxyoxolan-3-ol?
The IUPAC name of (2R,3R,4R,5R)-5-(4-amino-5-methoxy-2-methylidenepyrimidin-1-yl)-2-[1-[dimethyl(methylidene)-λ5-phosphanyl]propan-2-yl]-4-methoxyoxolan-3-ol (CID 158979990) is (2R,3R,4R,5R)-5-(4-amino-5-methoxy-2-methylidenepyrimidin-1-yl)-2-[1-[dimethyl(methylidene)-λ5-phosphanyl]propan-2-yl]-4-methoxyoxolan-3-ol.
What is the SMILES notation for (2R,3R,4R,5R)-5-(4-amino-5-methoxy-2-methylidenepyrimidin-1-yl)-2-[1-[dimethyl(methylidene)-λ5-phosphanyl]propan-2-yl]-4-methoxyoxolan-3-ol?
The canonical SMILES for (2R,3R,4R,5R)-5-(4-amino-5-methoxy-2-methylidenepyrimidin-1-yl)-2-[1-[dimethyl(methylidene)-λ5-phosphanyl]propan-2-yl]-4-methoxyoxolan-3-ol is C=C1N=C(N)C(OC)=CN1[C@@H]1O[C@H](C(C)CP(=C)(C)C)[C@@H](O)[C@H]1OC.
What is the InChIKey of (2R,3R,4R,5R)-5-(4-amino-5-methoxy-2-methylidenepyrimidin-1-yl)-2-[1-[dimethyl(methylidene)-λ5-phosphanyl]propan-2-yl]-4-methoxyoxolan-3-ol?
The InChIKey is PFCPTRYWKNILGC-GLLUZWMVSA-N. The full InChI is InChI=1S/C17H30N3O4P/c1-10(9-25(5,6)7)14-13(21)15(23-4)17(24-14)20-8-12(22-3)16(18)19-11(20)2/h8,10,13-15,17,21H,2,5,9H2,1,3-4,6-7H3,(H2,18,19)/t10?,13-,14-,15-,17-/m1/s1.
What are the key properties of (2R,3R,4R,5R)-5-(4-amino-5-methoxy-2-methylidenepyrimidin-1-yl)-2-[1-[dimethyl(methylidene)-λ5-phosphanyl]propan-2-yl]-4-methoxyoxolan-3-ol?
(2R,3R,4R,5R)-5-(4-amino-5-methoxy-2-methylidenepyrimidin-1-yl)-2-[1-[dimethyl(methylidene)-λ5-phosphanyl]propan-2-yl]-4-methoxyoxolan-3-ol has a molecular weight of 371.42 g/mol, XLogP of 1.06, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4R,5R)-5-(4-amino-5-methoxy-2-methylidenepyrimidin-1-yl)-2-[1-[dimethyl(methylidene)-λ5-phosphanyl]propan-2-yl]-4-methoxyoxolan-3-ol is sourced from PubChem (CID 158979990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).