(2S)-2-amino-3-(difluoromethoxy)propanoic acid;(2S)-2-(difluoromethoxymethyl)-4-(9H-fluoren-9-ylmethoxy)-4-oxobutanoic acid;(2S)-2-(difluoromethoxymethyl)-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid;phosphanide;phosphorus(2-) monohydride

C34H44F6NO13P2-3 — CID 162032904

About (2S)-2-amino-3-(difluoromethoxy)propanoic acid;(2S)-2-(difluoromethoxymethyl)-4-(9H-fluoren-9-ylmethoxy)-4-oxobutanoic acid;(2S)-2-(difluoromethoxymethyl)-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid;phosphanide;phosphorus(2-) monohydride

(2S)-2-amino-3-(difluoromethoxy)propanoic acid;(2S)-2-(difluoromethoxymethyl)-4-(9H-fluoren-9-ylmethoxy)-4-oxobutanoic acid;(2S)-2-(difluoromethoxymethyl)-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid;phosphanide;phosphorus(2-) monohydride (PubChem CID 162032904) has the molecular formula C34H44F6NO13P2-3 and a molecular weight of 850.66 g/mol. Its IUPAC name is (2S)-2-amino-3-(difluoromethoxy)propanoic acid;(2S)-2-(difluoromethoxymethyl)-4-(9H-fluoren-9-ylmethoxy)-4-oxobutanoic acid;(2S)-2-(difluoromethoxymethyl)-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid;phosphanide;phosphorus(2-) monohydride.

Molecular Properties

• Compound Name: (2S)-2-amino-3-(difluoromethoxy)propanoic acid;(2S)-2-(difluoromethoxymethyl)-4-(9H-fluoren-9-ylmethoxy)-4-oxobutanoic acid;(2S)-2-(difluoromethoxymethyl)-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid;phosphanide;phosphorus(2-) monohydride
• PubChem CID: 162032904
• Molecular Formula: C34H44F6NO13P2-3
• Molecular Weight: 850.66 g/mol
• Exact Mass: 850.22
• IUPAC Name: (2S)-2-amino-3-(difluoromethoxy)propanoic acid;(2S)-2-(difluoromethoxymethyl)-4-(9H-fluoren-9-ylmethoxy)-4-oxobutanoic acid;(2S)-2-(difluoromethoxymethyl)-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid;phosphanide;phosphorus(2-) monohydride
• SMILES: CC(C)(C)OC(=O)C[C@@H](COC(F)F)C(=O)O.N[C@@H](COC(F)F)C(=O)O.O=C(C[C@@H](COC(F)F)C(=O)O)OCC1c2ccccc2-c2ccccc21.[PH-2].[PH2-]
• InChI: InChI=1S/C20H18F2O5.C10H16F2O5.C4H7F2NO3.H2P.HP/c21-20(22)27-10-12(19(24)25)9-18(23)26-11-17-15-7-3-1-5-13(15)14-6-2-4-8-16(14)17;1-10(2,3)17-7(13)4-6(8(14)15)5-16-9(11)12;5-4(6)10-1-2(7)3(8)9;;/h1-8,12,17,20H,9-11H2,(H,24,25);6,9H,4-5H2,1-3H3,(H,14,15);2,4H,1,7H2,(H,8,9);1H2;1H/q;;;-1;-2/t12-;6-;2-;;/m000../s1
• InChIKey: YWGMUHNYOFZFMB-DOIAHZCZSA-N
• XLogP: 5.89
• TPSA: 218.21 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 11
• Rotatable Bonds: 18
• Heavy Atoms: 56
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	850.66
LogP ≤ 5	5.89
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-(difluoromethoxy)propanoic acid;(2S)-2-(difluoromethoxymethyl)-4-(9H-fluoren-9-ylmethoxy)-4-oxobutanoic acid;(2S)-2-(difluoromethoxymethyl)-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid;phosphanide;phosphorus(2-) monohydride?

The IUPAC name of (2S)-2-amino-3-(difluoromethoxy)propanoic acid;(2S)-2-(difluoromethoxymethyl)-4-(9H-fluoren-9-ylmethoxy)-4-oxobutanoic acid;(2S)-2-(difluoromethoxymethyl)-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid;phosphanide;phosphorus(2-) monohydride (CID 162032904) is (2S)-2-amino-3-(difluoromethoxy)propanoic acid;(2S)-2-(difluoromethoxymethyl)-4-(9H-fluoren-9-ylmethoxy)-4-oxobutanoic acid;(2S)-2-(difluoromethoxymethyl)-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid;phosphanide;phosphorus(2-) monohydride.

What is the SMILES notation for (2S)-2-amino-3-(difluoromethoxy)propanoic acid;(2S)-2-(difluoromethoxymethyl)-4-(9H-fluoren-9-ylmethoxy)-4-oxobutanoic acid;(2S)-2-(difluoromethoxymethyl)-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid;phosphanide;phosphorus(2-) monohydride?

The canonical SMILES for (2S)-2-amino-3-(difluoromethoxy)propanoic acid;(2S)-2-(difluoromethoxymethyl)-4-(9H-fluoren-9-ylmethoxy)-4-oxobutanoic acid;(2S)-2-(difluoromethoxymethyl)-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid;phosphanide;phosphorus(2-) monohydride is CC(C)(C)OC(=O)C[C@@H](COC(F)F)C(=O)O.N[C@@H](COC(F)F)C(=O)O.O=C(C[C@@H](COC(F)F)C(=O)O)OCC1c2ccccc2-c2ccccc21.[PH-2].[PH2-].

What is the InChIKey of (2S)-2-amino-3-(difluoromethoxy)propanoic acid;(2S)-2-(difluoromethoxymethyl)-4-(9H-fluoren-9-ylmethoxy)-4-oxobutanoic acid;(2S)-2-(difluoromethoxymethyl)-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid;phosphanide;phosphorus(2-) monohydride?

The InChIKey is YWGMUHNYOFZFMB-DOIAHZCZSA-N. The full InChI is InChI=1S/C20H18F2O5.C10H16F2O5.C4H7F2NO3.H2P.HP/c21-20(22)27-10-12(19(24)25)9-18(23)26-11-17-15-7-3-1-5-13(15)14-6-2-4-8-16(14)17;1-10(2,3)17-7(13)4-6(8(14)15)5-16-9(11)12;5-4(6)10-1-2(7)3(8)9;;/h1-8,12,17,20H,9-11H2,(H,24,25);6,9H,4-5H2,1-3H3,(H,14,15);2,4H,1,7H2,(H,8,9);1H2;1H/q;;;-1;-2/t12-;6-;2-;;/m000../s1.

What are the key properties of (2S)-2-amino-3-(difluoromethoxy)propanoic acid;(2S)-2-(difluoromethoxymethyl)-4-(9H-fluoren-9-ylmethoxy)-4-oxobutanoic acid;(2S)-2-(difluoromethoxymethyl)-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid;phosphanide;phosphorus(2-) monohydride?

(2S)-2-amino-3-(difluoromethoxy)propanoic acid;(2S)-2-(difluoromethoxymethyl)-4-(9H-fluoren-9-ylmethoxy)-4-oxobutanoic acid;(2S)-2-(difluoromethoxymethyl)-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid;phosphanide;phosphorus(2-) monohydride has a molecular weight of 850.66 g/mol, XLogP of 5.89, 18 rotatable bonds, 4 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-2-amino-3-(difluoromethoxy)propanoic acid;(2S)-2-(difluoromethoxymethyl)-4-(9H-fluoren-9-ylmethoxy)-4-oxobutanoic acid;(2S)-2-(difluoromethoxymethyl)-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid;phosphanide;phosphorus(2-) monohydride is sourced from PubChem (CID 162032904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).