[(2R,3R,5S)-4-hydroxy-5-methyl-2-(propan-2-yloxymethyl)oxolan-3-yl] [(2R,3R,5S)-5-methyl-3-propan-2-yloxyoxolan-2-yl]methyl hydrogen phosphate

C18H35O9P — CID 59914417

About [(2R,3R,5S)-4-hydroxy-5-methyl-2-(propan-2-yloxymethyl)oxolan-3-yl] [(2R,3R,5S)-5-methyl-3-propan-2-yloxyoxolan-2-yl]methyl hydrogen phosphate

[(2R,3R,5S)-4-hydroxy-5-methyl-2-(propan-2-yloxymethyl)oxolan-3-yl] [(2R,3R,5S)-5-methyl-3-propan-2-yloxyoxolan-2-yl]methyl hydrogen phosphate (PubChem CID 59914417) has the molecular formula C18H35O9P and a molecular weight of 426.44 g/mol. Its IUPAC name is [(2R,3R,5S)-4-hydroxy-5-methyl-2-(propan-2-yloxymethyl)oxolan-3-yl] [(2R,3R,5S)-5-methyl-3-propan-2-yloxyoxolan-2-yl]methyl hydrogen phosphate.

Molecular Properties

• Compound Name: [(2R,3R,5S)-4-hydroxy-5-methyl-2-(propan-2-yloxymethyl)oxolan-3-yl] [(2R,3R,5S)-5-methyl-3-propan-2-yloxyoxolan-2-yl]methyl hydrogen phosphate
• PubChem CID: 59914417
• Molecular Formula: C18H35O9P
• Molecular Weight: 426.44 g/mol
• Exact Mass: 426.20
• IUPAC Name: [(2R,3R,5S)-4-hydroxy-5-methyl-2-(propan-2-yloxymethyl)oxolan-3-yl] [(2R,3R,5S)-5-methyl-3-propan-2-yloxyoxolan-2-yl]methyl hydrogen phosphate
• SMILES: CC(C)OC[C@H]1O[C@@H](C)C(O)[C@H]1OP(=O)(O)OC[C@H]1O[C@@H](C)C[C@H]1OC(C)C
• InChI: InChI=1S/C18H35O9P/c1-10(2)22-8-16-18(17(19)13(6)26-16)27-28(20,21)23-9-15-14(24-11(3)4)7-12(5)25-15/h10-19H,7-9H2,1-6H3,(H,20,21)/t12-,13-,14+,15+,16+,17?,18-/m0/s1
• InChIKey: IDAGVYGLZQLCAS-NRIIEMCJSA-N
• XLogP: 2.03
• TPSA: 112.91 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 10
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	426.44
LogP ≤ 5	2.03
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [(2R,3R,5S)-4-hydroxy-5-methyl-2-(propan-2-yloxymethyl)oxolan-3-yl] [(2R,3R,5S)-5-methyl-3-propan-2-yloxyoxolan-2-yl]methyl hydrogen phosphate?

The IUPAC name of [(2R,3R,5S)-4-hydroxy-5-methyl-2-(propan-2-yloxymethyl)oxolan-3-yl] [(2R,3R,5S)-5-methyl-3-propan-2-yloxyoxolan-2-yl]methyl hydrogen phosphate (CID 59914417) is [(2R,3R,5S)-4-hydroxy-5-methyl-2-(propan-2-yloxymethyl)oxolan-3-yl] [(2R,3R,5S)-5-methyl-3-propan-2-yloxyoxolan-2-yl]methyl hydrogen phosphate.

What is the SMILES notation for [(2R,3R,5S)-4-hydroxy-5-methyl-2-(propan-2-yloxymethyl)oxolan-3-yl] [(2R,3R,5S)-5-methyl-3-propan-2-yloxyoxolan-2-yl]methyl hydrogen phosphate?

The canonical SMILES for [(2R,3R,5S)-4-hydroxy-5-methyl-2-(propan-2-yloxymethyl)oxolan-3-yl] [(2R,3R,5S)-5-methyl-3-propan-2-yloxyoxolan-2-yl]methyl hydrogen phosphate is CC(C)OC[C@H]1O[C@@H](C)C(O)[C@H]1OP(=O)(O)OC[C@H]1O[C@@H](C)C[C@H]1OC(C)C.

What is the InChIKey of [(2R,3R,5S)-4-hydroxy-5-methyl-2-(propan-2-yloxymethyl)oxolan-3-yl] [(2R,3R,5S)-5-methyl-3-propan-2-yloxyoxolan-2-yl]methyl hydrogen phosphate?

The InChIKey is IDAGVYGLZQLCAS-NRIIEMCJSA-N. The full InChI is InChI=1S/C18H35O9P/c1-10(2)22-8-16-18(17(19)13(6)26-16)27-28(20,21)23-9-15-14(24-11(3)4)7-12(5)25-15/h10-19H,7-9H2,1-6H3,(H,20,21)/t12-,13-,14+,15+,16+,17?,18-/m0/s1.

What are the key properties of [(2R,3R,5S)-4-hydroxy-5-methyl-2-(propan-2-yloxymethyl)oxolan-3-yl] [(2R,3R,5S)-5-methyl-3-propan-2-yloxyoxolan-2-yl]methyl hydrogen phosphate?

[(2R,3R,5S)-4-hydroxy-5-methyl-2-(propan-2-yloxymethyl)oxolan-3-yl] [(2R,3R,5S)-5-methyl-3-propan-2-yloxyoxolan-2-yl]methyl hydrogen phosphate has a molecular weight of 426.44 g/mol, XLogP of 2.03, 10 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for [(2R,3R,5S)-4-hydroxy-5-methyl-2-(propan-2-yloxymethyl)oxolan-3-yl] [(2R,3R,5S)-5-methyl-3-propan-2-yloxyoxolan-2-yl]methyl hydrogen phosphate is sourced from PubChem (CID 59914417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).