methane;1-[(2S,4S,5R)-4-methoxy-5-(2-methylidene-4-oxopyrimidin-1-yl)-3-propan-2-yloxyoxolan-2-yl]ethyl dihydrogen phosphate;2-[(2R,4S,5R)-4-methoxy-5-(2-methylidene-4-oxopyrimidin-1-yl)-3-propan-2-yloxyoxolan-2-yl]ethylphosphonic acid;[(E)-2-[(2R,4S,5R)-4-methoxy-5-(2-methylidene-4-oxopyrimidin-1-yl)-3-propan-2-yloxyoxolan-2-yl]prop-1-enyl]phosphonic acid

C47H79N6O22P3 — CID 160846443

About methane;1-[(2S,4S,5R)-4-methoxy-5-(2-methylidene-4-oxopyrimidin-1-yl)-3-propan-2-yloxyoxolan-2-yl]ethyl dihydrogen phosphate;2-[(2R,4S,5R)-4-methoxy-5-(2-methylidene-4-oxopyrimidin-1-yl)-3-propan-2-yloxyoxolan-2-yl]ethylphosphonic acid;[(E)-2-[(2R,4S,5R)-4-methoxy-5-(2-methylidene-4-oxopyrimidin-1-yl)-3-propan-2-yloxyoxolan-2-yl]prop-1-enyl]phosphonic acid

methane;1-[(2S,4S,5R)-4-methoxy-5-(2-methylidene-4-oxopyrimidin-1-yl)-3-propan-2-yloxyoxolan-2-yl]ethyl dihydrogen phosphate;2-[(2R,4S,5R)-4-methoxy-5-(2-methylidene-4-oxopyrimidin-1-yl)-3-propan-2-yloxyoxolan-2-yl]ethylphosphonic acid;[(E)-2-[(2R,4S,5R)-4-methoxy-5-(2-methylidene-4-oxopyrimidin-1-yl)-3-propan-2-yloxyoxolan-2-yl]prop-1-enyl]phosphonic acid (PubChem CID 160846443) has the molecular formula C47H79N6O22P3 and a molecular weight of 1173.09 g/mol. Its IUPAC name is methane;1-[(2S,4S,5R)-4-methoxy-5-(2-methylidene-4-oxopyrimidin-1-yl)-3-propan-2-yloxyoxolan-2-yl]ethyl dihydrogen phosphate;2-[(2R,4S,5R)-4-methoxy-5-(2-methylidene-4-oxopyrimidin-1-yl)-3-propan-2-yloxyoxolan-2-yl]ethylphosphonic acid;[(E)-2-[(2R,4S,5R)-4-methoxy-5-(2-methylidene-4-oxopyrimidin-1-yl)-3-propan-2-yloxyoxolan-2-yl]prop-1-enyl]phosphonic acid.

Molecular Properties

• Compound Name: methane;1-[(2S,4S,5R)-4-methoxy-5-(2-methylidene-4-oxopyrimidin-1-yl)-3-propan-2-yloxyoxolan-2-yl]ethyl dihydrogen phosphate;2-[(2R,4S,5R)-4-methoxy-5-(2-methylidene-4-oxopyrimidin-1-yl)-3-propan-2-yloxyoxolan-2-yl]ethylphosphonic acid;[(E)-2-[(2R,4S,5R)-4-methoxy-5-(2-methylidene-4-oxopyrimidin-1-yl)-3-propan-2-yloxyoxolan-2-yl]prop-1-enyl]phosphonic acid
• PubChem CID: 160846443
• Molecular Formula: C47H79N6O22P3
• Molecular Weight: 1173.09 g/mol
• Exact Mass: 1172.45
• IUPAC Name: methane;1-[(2S,4S,5R)-4-methoxy-5-(2-methylidene-4-oxopyrimidin-1-yl)-3-propan-2-yloxyoxolan-2-yl]ethyl dihydrogen phosphate;2-[(2R,4S,5R)-4-methoxy-5-(2-methylidene-4-oxopyrimidin-1-yl)-3-propan-2-yloxyoxolan-2-yl]ethylphosphonic acid;[(E)-2-[(2R,4S,5R)-4-methoxy-5-(2-methylidene-4-oxopyrimidin-1-yl)-3-propan-2-yloxyoxolan-2-yl]prop-1-enyl]phosphonic acid
• SMILES: C.C=C1NC(=O)C=CN1[C@@H]1O[C@H](/C(C)=C/P(=O)(O)O)C(OC(C)C)[C@@H]1OC.C=C1NC(=O)C=CN1[C@@H]1O[C@H](C(C)OP(=O)(O)O)C(OC(C)C)[C@@H]1OC.C=C1NC(=O)C=CN1[C@@H]1O[C@H](CCP(=O)(O)O)C(OC(C)C)[C@@H]1OC
• InChI: InChI=1S/C16H25N2O7P.C15H25N2O8P.C15H25N2O7P.CH4/c1-9(2)24-14-13(10(3)8-26(20,21)22)25-16(15(14)23-5)18-7-6-12(19)17-11(18)4;1-8(2)23-13-12(9(3)25-26(19,20)21)24-15(14(13)22-5)17-7-6-11(18)16-10(17)4;1-9(2)23-13-11(6-8-25(19,20)21)24-15(14(13)22-4)17-7-5-12(18)16-10(17)3;/h6-9,13-16H,4H2,1-3,5H3,(H,17,19)(H2,20,21,22);6-9,12-15H,4H2,1-3,5H3,(H,16,18)(H2,19,20,21);5,7,9,11,13-15H,3,6,8H2,1-2,4H3,(H,16,18)(H2,19,20,21);1H4/b10-8+;;;/t13-,14?,15+,16-;9?,12-,13?,14+,15-;11-,13?,14+,15-;/m111./s1
• InChIKey: SIRYCIUWWAQGKJ-LRZXESFVSA-N
• XLogP: 2.59
• TPSA: 361.91 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 19
• Rotatable Bonds: 20
• Heavy Atoms: 78
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1173.09
LogP ≤ 5	2.59
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of methane;1-[(2S,4S,5R)-4-methoxy-5-(2-methylidene-4-oxopyrimidin-1-yl)-3-propan-2-yloxyoxolan-2-yl]ethyl dihydrogen phosphate;2-[(2R,4S,5R)-4-methoxy-5-(2-methylidene-4-oxopyrimidin-1-yl)-3-propan-2-yloxyoxolan-2-yl]ethylphosphonic acid;[(E)-2-[(2R,4S,5R)-4-methoxy-5-(2-methylidene-4-oxopyrimidin-1-yl)-3-propan-2-yloxyoxolan-2-yl]prop-1-enyl]phosphonic acid?

The IUPAC name of methane;1-[(2S,4S,5R)-4-methoxy-5-(2-methylidene-4-oxopyrimidin-1-yl)-3-propan-2-yloxyoxolan-2-yl]ethyl dihydrogen phosphate;2-[(2R,4S,5R)-4-methoxy-5-(2-methylidene-4-oxopyrimidin-1-yl)-3-propan-2-yloxyoxolan-2-yl]ethylphosphonic acid;[(E)-2-[(2R,4S,5R)-4-methoxy-5-(2-methylidene-4-oxopyrimidin-1-yl)-3-propan-2-yloxyoxolan-2-yl]prop-1-enyl]phosphonic acid (CID 160846443) is methane;1-[(2S,4S,5R)-4-methoxy-5-(2-methylidene-4-oxopyrimidin-1-yl)-3-propan-2-yloxyoxolan-2-yl]ethyl dihydrogen phosphate;2-[(2R,4S,5R)-4-methoxy-5-(2-methylidene-4-oxopyrimidin-1-yl)-3-propan-2-yloxyoxolan-2-yl]ethylphosphonic acid;[(E)-2-[(2R,4S,5R)-4-methoxy-5-(2-methylidene-4-oxopyrimidin-1-yl)-3-propan-2-yloxyoxolan-2-yl]prop-1-enyl]phosphonic acid.

What is the SMILES notation for methane;1-[(2S,4S,5R)-4-methoxy-5-(2-methylidene-4-oxopyrimidin-1-yl)-3-propan-2-yloxyoxolan-2-yl]ethyl dihydrogen phosphate;2-[(2R,4S,5R)-4-methoxy-5-(2-methylidene-4-oxopyrimidin-1-yl)-3-propan-2-yloxyoxolan-2-yl]ethylphosphonic acid;[(E)-2-[(2R,4S,5R)-4-methoxy-5-(2-methylidene-4-oxopyrimidin-1-yl)-3-propan-2-yloxyoxolan-2-yl]prop-1-enyl]phosphonic acid?

The canonical SMILES for methane;1-[(2S,4S,5R)-4-methoxy-5-(2-methylidene-4-oxopyrimidin-1-yl)-3-propan-2-yloxyoxolan-2-yl]ethyl dihydrogen phosphate;2-[(2R,4S,5R)-4-methoxy-5-(2-methylidene-4-oxopyrimidin-1-yl)-3-propan-2-yloxyoxolan-2-yl]ethylphosphonic acid;[(E)-2-[(2R,4S,5R)-4-methoxy-5-(2-methylidene-4-oxopyrimidin-1-yl)-3-propan-2-yloxyoxolan-2-yl]prop-1-enyl]phosphonic acid is C.C=C1NC(=O)C=CN1[C@@H]1O[C@H](/C(C)=C/P(=O)(O)O)C(OC(C)C)[C@@H]1OC.C=C1NC(=O)C=CN1[C@@H]1O[C@H](C(C)OP(=O)(O)O)C(OC(C)C)[C@@H]1OC.C=C1NC(=O)C=CN1[C@@H]1O[C@H](CCP(=O)(O)O)C(OC(C)C)[C@@H]1OC.

What is the InChIKey of methane;1-[(2S,4S,5R)-4-methoxy-5-(2-methylidene-4-oxopyrimidin-1-yl)-3-propan-2-yloxyoxolan-2-yl]ethyl dihydrogen phosphate;2-[(2R,4S,5R)-4-methoxy-5-(2-methylidene-4-oxopyrimidin-1-yl)-3-propan-2-yloxyoxolan-2-yl]ethylphosphonic acid;[(E)-2-[(2R,4S,5R)-4-methoxy-5-(2-methylidene-4-oxopyrimidin-1-yl)-3-propan-2-yloxyoxolan-2-yl]prop-1-enyl]phosphonic acid?

The InChIKey is SIRYCIUWWAQGKJ-LRZXESFVSA-N. The full InChI is InChI=1S/C16H25N2O7P.C15H25N2O8P.C15H25N2O7P.CH4/c1-9(2)24-14-13(10(3)8-26(20,21)22)25-16(15(14)23-5)18-7-6-12(19)17-11(18)4;1-8(2)23-13-12(9(3)25-26(19,20)21)24-15(14(13)22-5)17-7-6-11(18)16-10(17)4;1-9(2)23-13-11(6-8-25(19,20)21)24-15(14(13)22-4)17-7-5-12(18)16-10(17)3;/h6-9,13-16H,4H2,1-3,5H3,(H,17,19)(H2,20,21,22);6-9,12-15H,4H2,1-3,5H3,(H,16,18)(H2,19,20,21);5,7,9,11,13-15H,3,6,8H2,1-2,4H3,(H,16,18)(H2,19,20,21);1H4/b10-8+;;;/t13-,14?,15+,16-;9?,12-,13?,14+,15-;11-,13?,14+,15-;/m111./s1.

What are the key properties of methane;1-[(2S,4S,5R)-4-methoxy-5-(2-methylidene-4-oxopyrimidin-1-yl)-3-propan-2-yloxyoxolan-2-yl]ethyl dihydrogen phosphate;2-[(2R,4S,5R)-4-methoxy-5-(2-methylidene-4-oxopyrimidin-1-yl)-3-propan-2-yloxyoxolan-2-yl]ethylphosphonic acid;[(E)-2-[(2R,4S,5R)-4-methoxy-5-(2-methylidene-4-oxopyrimidin-1-yl)-3-propan-2-yloxyoxolan-2-yl]prop-1-enyl]phosphonic acid?

methane;1-[(2S,4S,5R)-4-methoxy-5-(2-methylidene-4-oxopyrimidin-1-yl)-3-propan-2-yloxyoxolan-2-yl]ethyl dihydrogen phosphate;2-[(2R,4S,5R)-4-methoxy-5-(2-methylidene-4-oxopyrimidin-1-yl)-3-propan-2-yloxyoxolan-2-yl]ethylphosphonic acid;[(E)-2-[(2R,4S,5R)-4-methoxy-5-(2-methylidene-4-oxopyrimidin-1-yl)-3-propan-2-yloxyoxolan-2-yl]prop-1-enyl]phosphonic acid has a molecular weight of 1173.09 g/mol, XLogP of 2.59, 20 rotatable bonds, 9 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for methane;1-[(2S,4S,5R)-4-methoxy-5-(2-methylidene-4-oxopyrimidin-1-yl)-3-propan-2-yloxyoxolan-2-yl]ethyl dihydrogen phosphate;2-[(2R,4S,5R)-4-methoxy-5-(2-methylidene-4-oxopyrimidin-1-yl)-3-propan-2-yloxyoxolan-2-yl]ethylphosphonic acid;[(E)-2-[(2R,4S,5R)-4-methoxy-5-(2-methylidene-4-oxopyrimidin-1-yl)-3-propan-2-yloxyoxolan-2-yl]prop-1-enyl]phosphonic acid is sourced from PubChem (CID 160846443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).