N-[(3aS,4R,6S,6aS)-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2,3a-trimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-6-yl]-N-[(1S)-1-[bis[(2-methylpropan-2-yl)oxy]phosphoryl]-2-phenylmethoxyethyl]hydroxylamine

C30H50NO10P — CID 134876895

About N-[(3aS,4R,6S,6aS)-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2,3a-trimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-6-yl]-N-[(1S)-1-[bis[(2-methylpropan-2-yl)oxy]phosphoryl]-2-phenylmethoxyethyl]hydroxylamine

N-[(3aS,4R,6S,6aS)-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2,3a-trimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-6-yl]-N-[(1S)-1-[bis[(2-methylpropan-2-yl)oxy]phosphoryl]-2-phenylmethoxyethyl]hydroxylamine (PubChem CID 134876895) has the molecular formula C30H50NO10P and a molecular weight of 615.70 g/mol. Its IUPAC name is N-[(3aS,4R,6S,6aS)-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2,3a-trimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-6-yl]-N-[(1S)-1-[bis[(2-methylpropan-2-yl)oxy]phosphoryl]-2-phenylmethoxyethyl]hydroxylamine.

Molecular Properties

• Compound Name: N-[(3aS,4R,6S,6aS)-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2,3a-trimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-6-yl]-N-[(1S)-1-[bis[(2-methylpropan-2-yl)oxy]phosphoryl]-2-phenylmethoxyethyl]hydroxylamine
• PubChem CID: 134876895
• Molecular Formula: C30H50NO10P
• Molecular Weight: 615.70 g/mol
• Exact Mass: 615.32
• IUPAC Name: N-[(3aS,4R,6S,6aS)-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2,3a-trimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-6-yl]-N-[(1S)-1-[bis[(2-methylpropan-2-yl)oxy]phosphoryl]-2-phenylmethoxyethyl]hydroxylamine
• SMILES: CC(C)(C)OP(=O)(OC(C)(C)C)[C@@H](COCc1ccccc1)N(O)[C@H]1O[C@H]([C@H]2COC(C)(C)O2)[C@]2(C)OC(C)(C)O[C@H]12
• InChI: InChI=1S/C30H50NO10P/c1-26(2,3)40-42(33,41-27(4,5)6)22(19-34-17-20-15-13-12-14-16-20)31(32)25-24-30(11,39-29(9,10)38-24)23(36-25)21-18-35-28(7,8)37-21/h12-16,21-25,32H,17-19H2,1-11H3/t21-,22+,23-,24-,25+,30+/m1/s1
• InChIKey: MNWGFLXTFMHADL-HFCGRFCOSA-N
• XLogP: 5.83
• TPSA: 114.38 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 11
• Rotatable Bonds: 10
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	615.70
LogP ≤ 5	5.83
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,4R,6S,6aS)-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2,3a-trimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-6-yl]-N-[(1S)-1-[bis[(2-methylpropan-2-yl)oxy]phosphoryl]-2-phenylmethoxyethyl]hydroxylamine?

The IUPAC name of N-[(3aS,4R,6S,6aS)-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2,3a-trimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-6-yl]-N-[(1S)-1-[bis[(2-methylpropan-2-yl)oxy]phosphoryl]-2-phenylmethoxyethyl]hydroxylamine (CID 134876895) is N-[(3aS,4R,6S,6aS)-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2,3a-trimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-6-yl]-N-[(1S)-1-[bis[(2-methylpropan-2-yl)oxy]phosphoryl]-2-phenylmethoxyethyl]hydroxylamine.

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

The canonical SMILES for N-[(3aS,4R,6S,6aS)-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2,3a-trimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-6-yl]-N-[(1S)-1-[bis[(2-methylpropan-2-yl)oxy]phosphoryl]-2-phenylmethoxyethyl]hydroxylamine is CC(C)(C)OP(=O)(OC(C)(C)C)[C@@H](COCc1ccccc1)N(O)[C@H]1O[C@H]([C@H]2COC(C)(C)O2)[C@]2(C)OC(C)(C)O[C@H]12.

What is the InChIKey of N-[(3aS,4R,6S,6aS)-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2,3a-trimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-6-yl]-N-[(1S)-1-[bis[(2-methylpropan-2-yl)oxy]phosphoryl]-2-phenylmethoxyethyl]hydroxylamine?

The InChIKey is MNWGFLXTFMHADL-HFCGRFCOSA-N. The full InChI is InChI=1S/C30H50NO10P/c1-26(2,3)40-42(33,41-27(4,5)6)22(19-34-17-20-15-13-12-14-16-20)31(32)25-24-30(11,39-29(9,10)38-24)23(36-25)21-18-35-28(7,8)37-21/h12-16,21-25,32H,17-19H2,1-11H3/t21-,22+,23-,24-,25+,30+/m1/s1.

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

N-[(3aS,4R,6S,6aS)-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2,3a-trimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-6-yl]-N-[(1S)-1-[bis[(2-methylpropan-2-yl)oxy]phosphoryl]-2-phenylmethoxyethyl]hydroxylamine has a molecular weight of 615.70 g/mol, XLogP of 5.83, 10 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(3aS,4R,6S,6aS)-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2,3a-trimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-6-yl]-N-[(1S)-1-[bis[(2-methylpropan-2-yl)oxy]phosphoryl]-2-phenylmethoxyethyl]hydroxylamine is sourced from PubChem (CID 134876895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).