1-[(2R,4S,5R)-4-hydroxy-5-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxolan-2-yl]-5-iodopyrimidine-2,4-dione

C15H21IN2O10 — CID 10075230

About 1-[(2R,4S,5R)-4-hydroxy-5-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxolan-2-yl]-5-iodopyrimidine-2,4-dione

1-[(2R,4S,5R)-4-hydroxy-5-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxolan-2-yl]-5-iodopyrimidine-2,4-dione (PubChem CID 10075230) has the molecular formula C15H21IN2O10 and a molecular weight of 516.24 g/mol. Its IUPAC name is 1-[(2R,4S,5R)-4-hydroxy-5-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxolan-2-yl]-5-iodopyrimidine-2,4-dione.

Molecular Properties

• Compound Name: 1-[(2R,4S,5R)-4-hydroxy-5-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxolan-2-yl]-5-iodopyrimidine-2,4-dione
• PubChem CID: 10075230
• Molecular Formula: C15H21IN2O10
• Molecular Weight: 516.24 g/mol
• Exact Mass: 516.02
• IUPAC Name: 1-[(2R,4S,5R)-4-hydroxy-5-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxolan-2-yl]-5-iodopyrimidine-2,4-dione
• SMILES: O=c1[nH]c(=O)n([C@H]2C[C@H](O)[C@@H](CO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)O2)cc1I
• InChI: InChI=1S/C15H21IN2O10/c16-5-2-18(15(25)17-13(5)24)9-1-6(20)8(27-9)4-26-14-12(23)11(22)10(21)7(3-19)28-14/h2,6-12,14,19-23H,1,3-4H2,(H,17,24,25)/t6-,7+,8+,9+,10+,11-,12+,14+/m0/s1
• InChIKey: MVIJPBUNPZAKSR-TXQIEKCOSA-N
• XLogP: -3.39
• TPSA: 183.70 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 11
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	516.24
LogP ≤ 5	-3.39
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[(2R,4S,5R)-4-hydroxy-5-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxolan-2-yl]-5-iodopyrimidine-2,4-dione?

The IUPAC name of 1-[(2R,4S,5R)-4-hydroxy-5-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxolan-2-yl]-5-iodopyrimidine-2,4-dione (CID 10075230) is 1-[(2R,4S,5R)-4-hydroxy-5-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxolan-2-yl]-5-iodopyrimidine-2,4-dione.

What is the SMILES notation for 1-[(2R,4S,5R)-4-hydroxy-5-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxolan-2-yl]-5-iodopyrimidine-2,4-dione?

The canonical SMILES for 1-[(2R,4S,5R)-4-hydroxy-5-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxolan-2-yl]-5-iodopyrimidine-2,4-dione is O=c1[nH]c(=O)n([C@H]2C[C@H](O)[C@@H](CO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)O2)cc1I.

What is the InChIKey of 1-[(2R,4S,5R)-4-hydroxy-5-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxolan-2-yl]-5-iodopyrimidine-2,4-dione?

The InChIKey is MVIJPBUNPZAKSR-TXQIEKCOSA-N. The full InChI is InChI=1S/C15H21IN2O10/c16-5-2-18(15(25)17-13(5)24)9-1-6(20)8(27-9)4-26-14-12(23)11(22)10(21)7(3-19)28-14/h2,6-12,14,19-23H,1,3-4H2,(H,17,24,25)/t6-,7+,8+,9+,10+,11-,12+,14+/m0/s1.

What are the key properties of 1-[(2R,4S,5R)-4-hydroxy-5-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxolan-2-yl]-5-iodopyrimidine-2,4-dione?

1-[(2R,4S,5R)-4-hydroxy-5-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxolan-2-yl]-5-iodopyrimidine-2,4-dione has a molecular weight of 516.24 g/mol, XLogP of -3.39, 5 rotatable bonds, 6 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(2R,4S,5R)-4-hydroxy-5-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxolan-2-yl]-5-iodopyrimidine-2,4-dione is sourced from PubChem (CID 10075230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).