N-[(3aS,4S,6R,6aS)-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-N-[(1R)-1-bis(phenylmethoxy)phosphoryl-2-phenylmethoxyethyl]hydroxylamine

C35H44NO10P — CID 134883948

About N-[(3aS,4S,6R,6aS)-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-N-[(1R)-1-bis(phenylmethoxy)phosphoryl-2-phenylmethoxyethyl]hydroxylamine

N-[(3aS,4S,6R,6aS)-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-N-[(1R)-1-bis(phenylmethoxy)phosphoryl-2-phenylmethoxyethyl]hydroxylamine (PubChem CID 134883948) has the molecular formula C35H44NO10P and a molecular weight of 669.71 g/mol. Its IUPAC name is N-[(3aS,4S,6R,6aS)-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-N-[(1R)-1-bis(phenylmethoxy)phosphoryl-2-phenylmethoxyethyl]hydroxylamine.

Molecular Properties

• Compound Name: N-[(3aS,4S,6R,6aS)-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-N-[(1R)-1-bis(phenylmethoxy)phosphoryl-2-phenylmethoxyethyl]hydroxylamine
• PubChem CID: 134883948
• Molecular Formula: C35H44NO10P
• Molecular Weight: 669.71 g/mol
• Exact Mass: 669.27
• IUPAC Name: N-[(3aS,4S,6R,6aS)-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-N-[(1R)-1-bis(phenylmethoxy)phosphoryl-2-phenylmethoxyethyl]hydroxylamine
• SMILES: CC1(C)O[C@H]2[C@@H]([C@H]3COC(C)(C)O3)O[C@H](N(O)[C@@H](COCc3ccccc3)P(=O)(OCc3ccccc3)OCc3ccccc3)[C@H]2O1
• InChI: InChI=1S/C35H44NO10P/c1-34(2)40-23-28(44-34)30-31-32(46-35(3,4)45-31)33(43-30)36(37)29(24-39-20-25-14-8-5-9-15-25)47(38,41-21-26-16-10-6-11-17-26)42-22-27-18-12-7-13-19-27/h5-19,28-33,37H,20-24H2,1-4H3/t28-,29-,30-,31+,32+,33+/m1/s1
• InChIKey: BXIVJJOWHZONLZ-OKYIMTKNSA-N
• XLogP: 6.24
• TPSA: 114.38 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 11
• Rotatable Bonds: 14
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	669.71
LogP ≤ 5	6.24
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[(3aS,4S,6R,6aS)-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-N-[(1R)-1-bis(phenylmethoxy)phosphoryl-2-phenylmethoxyethyl]hydroxylamine?

The IUPAC name of N-[(3aS,4S,6R,6aS)-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-N-[(1R)-1-bis(phenylmethoxy)phosphoryl-2-phenylmethoxyethyl]hydroxylamine (CID 134883948) is N-[(3aS,4S,6R,6aS)-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-N-[(1R)-1-bis(phenylmethoxy)phosphoryl-2-phenylmethoxyethyl]hydroxylamine.

What is the SMILES notation for N-[(3aS,4S,6R,6aS)-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-N-[(1R)-1-bis(phenylmethoxy)phosphoryl-2-phenylmethoxyethyl]hydroxylamine?

The canonical SMILES for N-[(3aS,4S,6R,6aS)-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-N-[(1R)-1-bis(phenylmethoxy)phosphoryl-2-phenylmethoxyethyl]hydroxylamine is CC1(C)O[C@H]2[C@@H]([C@H]3COC(C)(C)O3)O[C@H](N(O)[C@@H](COCc3ccccc3)P(=O)(OCc3ccccc3)OCc3ccccc3)[C@H]2O1.

What is the InChIKey of N-[(3aS,4S,6R,6aS)-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-N-[(1R)-1-bis(phenylmethoxy)phosphoryl-2-phenylmethoxyethyl]hydroxylamine?

The InChIKey is BXIVJJOWHZONLZ-OKYIMTKNSA-N. The full InChI is InChI=1S/C35H44NO10P/c1-34(2)40-23-28(44-34)30-31-32(46-35(3,4)45-31)33(43-30)36(37)29(24-39-20-25-14-8-5-9-15-25)47(38,41-21-26-16-10-6-11-17-26)42-22-27-18-12-7-13-19-27/h5-19,28-33,37H,20-24H2,1-4H3/t28-,29-,30-,31+,32+,33+/m1/s1.

What are the key properties of N-[(3aS,4S,6R,6aS)-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-N-[(1R)-1-bis(phenylmethoxy)phosphoryl-2-phenylmethoxyethyl]hydroxylamine?

N-[(3aS,4S,6R,6aS)-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-N-[(1R)-1-bis(phenylmethoxy)phosphoryl-2-phenylmethoxyethyl]hydroxylamine has a molecular weight of 669.71 g/mol, XLogP of 6.24, 14 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(3aS,4S,6R,6aS)-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-N-[(1R)-1-bis(phenylmethoxy)phosphoryl-2-phenylmethoxyethyl]hydroxylamine is sourced from PubChem (CID 134883948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).