2-[amino(propan-2-yloxy)phosphanyl]oxypropane;1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione

C16H30N3O7P — CID 174458559

About 2-[amino(propan-2-yloxy)phosphanyl]oxypropane;1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione

2-[amino(propan-2-yloxy)phosphanyl]oxypropane;1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione (PubChem CID 174458559) has the molecular formula C16H30N3O7P and a molecular weight of 407.40 g/mol. Its IUPAC name is 2-[amino(propan-2-yloxy)phosphanyl]oxypropane;1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione.

Molecular Properties

• Compound Name: 2-[amino(propan-2-yloxy)phosphanyl]oxypropane;1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
• PubChem CID: 174458559
• Molecular Formula: C16H30N3O7P
• Molecular Weight: 407.40 g/mol
• Exact Mass: 407.18
• IUPAC Name: 2-[amino(propan-2-yloxy)phosphanyl]oxypropane;1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
• SMILES: CC(C)OP(N)OC(C)C.Cc1cn([C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)[nH]c1=O
• InChI: InChI=1S/C10H14N2O5.C6H16NO2P/c1-5-3-12(10(16)11-9(5)15)8-2-6(14)7(4-13)17-8;1-5(2)8-10(7)9-6(3)4/h3,6-8,13-14H,2,4H2,1H3,(H,11,15,16);5-6H,7H2,1-4H3/t6-,7+,8+;/m0./s1
• InChIKey: SSCAWLCGFYWQBF-HNPMAXIBSA-N
• XLogP: 0.51
• TPSA: 149.03 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	407.40
LogP ≤ 5	0.51
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[amino(propan-2-yloxy)phosphanyl]oxypropane;1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione?

The IUPAC name of 2-[amino(propan-2-yloxy)phosphanyl]oxypropane;1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione (CID 174458559) is 2-[amino(propan-2-yloxy)phosphanyl]oxypropane;1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione.

What is the SMILES notation for 2-[amino(propan-2-yloxy)phosphanyl]oxypropane;1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione?

The canonical SMILES for 2-[amino(propan-2-yloxy)phosphanyl]oxypropane;1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione is CC(C)OP(N)OC(C)C.Cc1cn([C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)[nH]c1=O.

What is the InChIKey of 2-[amino(propan-2-yloxy)phosphanyl]oxypropane;1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione?

The InChIKey is SSCAWLCGFYWQBF-HNPMAXIBSA-N. The full InChI is InChI=1S/C10H14N2O5.C6H16NO2P/c1-5-3-12(10(16)11-9(5)15)8-2-6(14)7(4-13)17-8;1-5(2)8-10(7)9-6(3)4/h3,6-8,13-14H,2,4H2,1H3,(H,11,15,16);5-6H,7H2,1-4H3/t6-,7+,8+;/m0./s1.

What are the key properties of 2-[amino(propan-2-yloxy)phosphanyl]oxypropane;1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione?

2-[amino(propan-2-yloxy)phosphanyl]oxypropane;1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione has a molecular weight of 407.40 g/mol, XLogP of 0.51, 6 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[amino(propan-2-yloxy)phosphanyl]oxypropane;1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione is sourced from PubChem (CID 174458559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).