trans-(1S,4R)-1-[[(2R,3R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-oxidophosphoryl]oxy-3,4,5-trimethylcyclohexane-1-carboxylate;yttrium

C19H27N3O10PY-3 — CID 59441415

About trans-(1S,4R)-1-[[(2R,3R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-oxidophosphoryl]oxy-3,4,5-trimethylcyclohexane-1-carboxylate;yttrium

trans-(1S,4R)-1-[[(2R,3R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-oxidophosphoryl]oxy-3,4,5-trimethylcyclohexane-1-carboxylate;yttrium (PubChem CID 59441415) has the molecular formula C19H27N3O10PY-3 and a molecular weight of 577.32 g/mol. Its IUPAC name is trans-(1S,4R)-1-[[(2R,3R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-oxidophosphoryl]oxy-3,4,5-trimethylcyclohexane-1-carboxylate;yttrium.

Molecular Properties

• Compound Name: trans-(1S,4R)-1-[[(2R,3R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-oxidophosphoryl]oxy-3,4,5-trimethylcyclohexane-1-carboxylate;yttrium
• PubChem CID: 59441415
• Molecular Formula: C19H27N3O10PY-3
• Molecular Weight: 577.32 g/mol
• Exact Mass: 577.05
• IUPAC Name: trans-(1S,4R)-1-[[(2R,3R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-oxidophosphoryl]oxy-3,4,5-trimethylcyclohexane-1-carboxylate;yttrium
• SMILES: C[C-]1C[C@@](OP(=O)([O-])OC[C@H]2O[C@@H](n3ccc(N)nc3=O)C(O)[C@H]2O)(C(=O)[O-])CC(C)[C@@H]1C.[Y]
• InChI: InChI=1S/C19H29N3O10P.Y/c1-9-6-19(17(25)26,7-10(2)11(9)3)32-33(28,29)30-8-12-14(23)15(24)16(31-12)22-5-4-13(20)21-18(22)27;/h4-5,9,11-12,14-16,23-24H,6-8H2,1-3H3,(H,25,26)(H,28,29)(H2,20,21,27);/q-1;/p-2/t9?,11-,12+,14-,15?,16+,19+;/m0./s1
• InChIKey: ZSELZMILZIXPNI-ZYUNPVQQSA-L
• XLogP: -1.91
• TPSA: 209.32 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 13
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	577.32
LogP ≤ 5	-1.91
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of trans-(1S,4R)-1-[[(2R,3R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-oxidophosphoryl]oxy-3,4,5-trimethylcyclohexane-1-carboxylate;yttrium?

The IUPAC name of trans-(1S,4R)-1-[[(2R,3R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-oxidophosphoryl]oxy-3,4,5-trimethylcyclohexane-1-carboxylate;yttrium (CID 59441415) is trans-(1S,4R)-1-[[(2R,3R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-oxidophosphoryl]oxy-3,4,5-trimethylcyclohexane-1-carboxylate;yttrium.

What is the SMILES notation for trans-(1S,4R)-1-[[(2R,3R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-oxidophosphoryl]oxy-3,4,5-trimethylcyclohexane-1-carboxylate;yttrium?

The canonical SMILES for trans-(1S,4R)-1-[[(2R,3R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-oxidophosphoryl]oxy-3,4,5-trimethylcyclohexane-1-carboxylate;yttrium is C[C-]1C[C@@](OP(=O)([O-])OC[C@H]2O[C@@H](n3ccc(N)nc3=O)C(O)[C@H]2O)(C(=O)[O-])CC(C)[C@@H]1C.[Y].

What is the InChIKey of trans-(1S,4R)-1-[[(2R,3R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-oxidophosphoryl]oxy-3,4,5-trimethylcyclohexane-1-carboxylate;yttrium?

The InChIKey is ZSELZMILZIXPNI-ZYUNPVQQSA-L. The full InChI is InChI=1S/C19H29N3O10P.Y/c1-9-6-19(17(25)26,7-10(2)11(9)3)32-33(28,29)30-8-12-14(23)15(24)16(31-12)22-5-4-13(20)21-18(22)27;/h4-5,9,11-12,14-16,23-24H,6-8H2,1-3H3,(H,25,26)(H,28,29)(H2,20,21,27);/q-1;/p-2/t9?,11-,12+,14-,15?,16+,19+;/m0./s1.

What are the key properties of trans-(1S,4R)-1-[[(2R,3R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-oxidophosphoryl]oxy-3,4,5-trimethylcyclohexane-1-carboxylate;yttrium?

trans-(1S,4R)-1-[[(2R,3R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-oxidophosphoryl]oxy-3,4,5-trimethylcyclohexane-1-carboxylate;yttrium has a molecular weight of 577.32 g/mol, XLogP of -1.91, 7 rotatable bonds, 3 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for trans-(1S,4R)-1-[[(2R,3R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-oxidophosphoryl]oxy-3,4,5-trimethylcyclohexane-1-carboxylate;yttrium is sourced from PubChem (CID 59441415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).