(3S,4S,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-2,2-bis(hydroxymethyl)-4-methyloxolan-3-ol;(3S,4S,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-2-ethenyl-2-(hydroxymethyl)-4-methyloxolan-3-ol

C25H38N6O7 — CID 159897711

About (3S,4S,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-2,2-bis(hydroxymethyl)-4-methyloxolan-3-ol;(3S,4S,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-2-ethenyl-2-(hydroxymethyl)-4-methyloxolan-3-ol

(3S,4S,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-2,2-bis(hydroxymethyl)-4-methyloxolan-3-ol;(3S,4S,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-2-ethenyl-2-(hydroxymethyl)-4-methyloxolan-3-ol (PubChem CID 159897711) has the molecular formula C25H38N6O7 and a molecular weight of 534.61 g/mol. Its IUPAC name is (3S,4S,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-2,2-bis(hydroxymethyl)-4-methyloxolan-3-ol;(3S,4S,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-2-ethenyl-2-(hydroxymethyl)-4-methyloxolan-3-ol.

Molecular Properties

• Compound Name: (3S,4S,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-2,2-bis(hydroxymethyl)-4-methyloxolan-3-ol;(3S,4S,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-2-ethenyl-2-(hydroxymethyl)-4-methyloxolan-3-ol
• PubChem CID: 159897711
• Molecular Formula: C25H38N6O7
• Molecular Weight: 534.61 g/mol
• Exact Mass: 534.28
• IUPAC Name: (3S,4S,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-2,2-bis(hydroxymethyl)-4-methyloxolan-3-ol;(3S,4S,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-2-ethenyl-2-(hydroxymethyl)-4-methyloxolan-3-ol
• SMILES: C=C1N=C(N)C=CN1[C@@H]1OC(CO)(CO)[C@@H](O)[C@@H]1C.C=CC1(CO)O[C@@H](N2C=CC(N)=NC2=C)[C@@H](C)[C@@H]1O
• InChI: InChI=1S/C13H19N3O3.C12H19N3O4/c1-4-13(7-17)11(18)8(2)12(19-13)16-6-5-10(14)15-9(16)3;1-7-10(18)12(5-16,6-17)19-11(7)15-4-3-9(13)14-8(15)2/h4-6,8,11-12,17-18H,1,3,7H2,2H3,(H2,14,15);3-4,7,10-11,16-18H,2,5-6H2,1H3,(H2,13,14)/t8-,11-,12+,13?;7-,10-,11+/m00/s1
• InChIKey: NVODMDHTXXVVBT-IOAPJOGHSA-N
• XLogP: -1.36
• TPSA: 202.85 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 13
• Rotatable Bonds: 6
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	534.61
LogP ≤ 5	-1.36
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (3S,4S,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-2,2-bis(hydroxymethyl)-4-methyloxolan-3-ol;(3S,4S,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-2-ethenyl-2-(hydroxymethyl)-4-methyloxolan-3-ol?

The IUPAC name of (3S,4S,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-2,2-bis(hydroxymethyl)-4-methyloxolan-3-ol;(3S,4S,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-2-ethenyl-2-(hydroxymethyl)-4-methyloxolan-3-ol (CID 159897711) is (3S,4S,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-2,2-bis(hydroxymethyl)-4-methyloxolan-3-ol;(3S,4S,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-2-ethenyl-2-(hydroxymethyl)-4-methyloxolan-3-ol.

What is the SMILES notation for (3S,4S,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-2,2-bis(hydroxymethyl)-4-methyloxolan-3-ol;(3S,4S,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-2-ethenyl-2-(hydroxymethyl)-4-methyloxolan-3-ol?

The canonical SMILES for (3S,4S,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-2,2-bis(hydroxymethyl)-4-methyloxolan-3-ol;(3S,4S,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-2-ethenyl-2-(hydroxymethyl)-4-methyloxolan-3-ol is C=C1N=C(N)C=CN1[C@@H]1OC(CO)(CO)[C@@H](O)[C@@H]1C.C=CC1(CO)O[C@@H](N2C=CC(N)=NC2=C)[C@@H](C)[C@@H]1O.

What is the InChIKey of (3S,4S,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-2,2-bis(hydroxymethyl)-4-methyloxolan-3-ol;(3S,4S,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-2-ethenyl-2-(hydroxymethyl)-4-methyloxolan-3-ol?

The InChIKey is NVODMDHTXXVVBT-IOAPJOGHSA-N. The full InChI is InChI=1S/C13H19N3O3.C12H19N3O4/c1-4-13(7-17)11(18)8(2)12(19-13)16-6-5-10(14)15-9(16)3;1-7-10(18)12(5-16,6-17)19-11(7)15-4-3-9(13)14-8(15)2/h4-6,8,11-12,17-18H,1,3,7H2,2H3,(H2,14,15);3-4,7,10-11,16-18H,2,5-6H2,1H3,(H2,13,14)/t8-,11-,12+,13?;7-,10-,11+/m00/s1.

What are the key properties of (3S,4S,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-2,2-bis(hydroxymethyl)-4-methyloxolan-3-ol;(3S,4S,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-2-ethenyl-2-(hydroxymethyl)-4-methyloxolan-3-ol?

(3S,4S,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-2,2-bis(hydroxymethyl)-4-methyloxolan-3-ol;(3S,4S,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-2-ethenyl-2-(hydroxymethyl)-4-methyloxolan-3-ol has a molecular weight of 534.61 g/mol, XLogP of -1.36, 6 rotatable bonds, 7 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for (3S,4S,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-2,2-bis(hydroxymethyl)-4-methyloxolan-3-ol;(3S,4S,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-2-ethenyl-2-(hydroxymethyl)-4-methyloxolan-3-ol is sourced from PubChem (CID 159897711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).