(2R,3R,4S,5R)-2-[4-amino-5-(2-hydroxyethyl)-2-methylidenepyrimidin-1-yl]-5-[1-[dimethyl(methylidene)-λ5-phosphanyl]propan-2-yl]oxolane-3,4-diol

C17H30N3O4P — CID 159935721

IUPAC(2R,3R,4S,5R)-2-[4-amino-5-(2-hydroxyethyl)-2-methylidenepyrimidin-1-yl]-5-[1-[dimethyl(methylidene)-λ5-phosphanyl]propan-2-yl]oxolane-3,4-diol
SMILESC=C1N=C(N)C(CCO)=CN1[C@@H]1O[C@H](C(C)CP(=C)(C)C)[C@@H](O)[C@H]1O
InChIInChI=1S/C17H30N3O4P/c1-10(9-25(3,4)5)15-13(22)14(23)17(24-15)20-8-12(6-7-21)16(18)19-11(20)2/h8,10,13-15,17,21-23H,2-3,6-7,9H2,1,4-5H3,(H2,18,19)/t10?,13-,14+,15+,17+/m0/s1
InChIKeyXTTQJNQDKOBKQI-BZBPWZSPSA-N
MW371.42 g/mol
LogP0.19
Rot. Bonds6

About (2R,3R,4S,5R)-2-[4-amino-5-(2-hydroxyethyl)-2-methylidenepyrimidin-1-yl]-5-[1-[dimethyl(methylidene)-λ5-phosphanyl]propan-2-yl]oxolane-3,4-diol

(2R,3R,4S,5R)-2-[4-amino-5-(2-hydroxyethyl)-2-methylidenepyrimidin-1-yl]-5-[1-[dimethyl(methylidene)-λ5-phosphanyl]propan-2-yl]oxolane-3,4-diol (PubChem CID 159935721) has the molecular formula C17H30N3O4P and a molecular weight of 371.42 g/mol. Its IUPAC name is (2R,3R,4S,5R)-2-[4-amino-5-(2-hydroxyethyl)-2-methylidenepyrimidin-1-yl]-5-[1-[dimethyl(methylidene)-λ5-phosphanyl]propan-2-yl]oxolane-3,4-diol.

Molecular Properties

Compound Name(2R,3R,4S,5R)-2-[4-amino-5-(2-hydroxyethyl)-2-methylidenepyrimidin-1-yl]-5-[1-[dimethyl(methylidene)-λ5-phosphanyl]propan-2-yl]oxolane-3,4-diol
PubChem CID159935721
Molecular FormulaC17H30N3O4P
Molecular Weight371.42 g/mol
Exact Mass371.20
IUPAC Name(2R,3R,4S,5R)-2-[4-amino-5-(2-hydroxyethyl)-2-methylidenepyrimidin-1-yl]-5-[1-[dimethyl(methylidene)-λ5-phosphanyl]propan-2-yl]oxolane-3,4-diol
SMILESC=C1N=C(N)C(CCO)=CN1[C@@H]1O[C@H](C(C)CP(=C)(C)C)[C@@H](O)[C@H]1O
InChIInChI=1S/C17H30N3O4P/c1-10(9-25(3,4)5)15-13(22)14(23)17(24-15)20-8-12(6-7-21)16(18)19-11(20)2/h8,10,13-15,17,21-23H,2-3,6-7,9H2,1,4-5H3,(H2,18,19)/t10?,13-,14+,15+,17+/m0/s1
InChIKeyXTTQJNQDKOBKQI-BZBPWZSPSA-N
XLogP0.19
TPSA111.54 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.42
LogP ≤ 50.19
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze (2R,3R,4S,5R)-2-[4-amino-5-(2-hydroxyethyl)-2-methylidenepyrimidin-1-yl]-5-[1-[dimethyl(methylidene)-λ5-phosphanyl]propan-2-yl]oxolane-3,4-diol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2R,3R,4S,5R)-2-[4-amino-5-(2-hydroxyethyl)-2-methylidenepyrimidin-1-yl]-5-[1-[dimethyl(methylidene)-λ5-phosphanyl]propan-2-yl]oxolane-3,4-diol?
The IUPAC name of (2R,3R,4S,5R)-2-[4-amino-5-(2-hydroxyethyl)-2-methylidenepyrimidin-1-yl]-5-[1-[dimethyl(methylidene)-λ5-phosphanyl]propan-2-yl]oxolane-3,4-diol (CID 159935721) is (2R,3R,4S,5R)-2-[4-amino-5-(2-hydroxyethyl)-2-methylidenepyrimidin-1-yl]-5-[1-[dimethyl(methylidene)-λ5-phosphanyl]propan-2-yl]oxolane-3,4-diol.
What is the SMILES notation for (2R,3R,4S,5R)-2-[4-amino-5-(2-hydroxyethyl)-2-methylidenepyrimidin-1-yl]-5-[1-[dimethyl(methylidene)-λ5-phosphanyl]propan-2-yl]oxolane-3,4-diol?
The canonical SMILES for (2R,3R,4S,5R)-2-[4-amino-5-(2-hydroxyethyl)-2-methylidenepyrimidin-1-yl]-5-[1-[dimethyl(methylidene)-λ5-phosphanyl]propan-2-yl]oxolane-3,4-diol is C=C1N=C(N)C(CCO)=CN1[C@@H]1O[C@H](C(C)CP(=C)(C)C)[C@@H](O)[C@H]1O.
What is the InChIKey of (2R,3R,4S,5R)-2-[4-amino-5-(2-hydroxyethyl)-2-methylidenepyrimidin-1-yl]-5-[1-[dimethyl(methylidene)-λ5-phosphanyl]propan-2-yl]oxolane-3,4-diol?
The InChIKey is XTTQJNQDKOBKQI-BZBPWZSPSA-N. The full InChI is InChI=1S/C17H30N3O4P/c1-10(9-25(3,4)5)15-13(22)14(23)17(24-15)20-8-12(6-7-21)16(18)19-11(20)2/h8,10,13-15,17,21-23H,2-3,6-7,9H2,1,4-5H3,(H2,18,19)/t10?,13-,14+,15+,17+/m0/s1.
What are the key properties of (2R,3R,4S,5R)-2-[4-amino-5-(2-hydroxyethyl)-2-methylidenepyrimidin-1-yl]-5-[1-[dimethyl(methylidene)-λ5-phosphanyl]propan-2-yl]oxolane-3,4-diol?
(2R,3R,4S,5R)-2-[4-amino-5-(2-hydroxyethyl)-2-methylidenepyrimidin-1-yl]-5-[1-[dimethyl(methylidene)-λ5-phosphanyl]propan-2-yl]oxolane-3,4-diol has a molecular weight of 371.42 g/mol, XLogP of 0.19, 6 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4S,5R)-2-[4-amino-5-(2-hydroxyethyl)-2-methylidenepyrimidin-1-yl]-5-[1-[dimethyl(methylidene)-λ5-phosphanyl]propan-2-yl]oxolane-3,4-diol is sourced from PubChem (CID 159935721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).