CID 59628408

C17H32BN2O4P — CID 59628408

IUPAC—
SMILES[B][C@@H]1O[C@H](CC)C(OP(C)N(C(C)C)C(C)C)[C@@H]1OCOCCC#N
InChIInChI=1S/C17H32BN2O4P/c1-7-14-15(24-25(6)20(12(2)3)13(4)5)16(17(18)23-14)22-11-21-10-8-9-19/h12-17H,7-8,10-11H2,1-6H3/t14-,15?,16+,17-,25?/m1/s1
InChIKeyCPWMFKCFNLFJGC-WRSHKCLDSA-N
MW370.24 g/mol
LogP3.01
Rot. Bonds11

About CID 59628408

CID 59628408 (PubChem CID 59628408) has the molecular formula C17H32BN2O4P and a molecular weight of 370.24 g/mol.

Molecular Properties

Compound NameCID 59628408
PubChem CID59628408
Molecular FormulaC17H32BN2O4P
Molecular Weight370.24 g/mol
Exact Mass370.22
IUPAC Name—
SMILES[B][C@@H]1O[C@H](CC)C(OP(C)N(C(C)C)C(C)C)[C@@H]1OCOCCC#N
InChIInChI=1S/C17H32BN2O4P/c1-7-14-15(24-25(6)20(12(2)3)13(4)5)16(17(18)23-14)22-11-21-10-8-9-19/h12-17H,7-8,10-11H2,1-6H3/t14-,15?,16+,17-,25?/m1/s1
InChIKeyCPWMFKCFNLFJGC-WRSHKCLDSA-N
XLogP3.01
TPSA63.95 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.24
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

CID 162138713
CID 162138713
3-[[di(propan-2-yl)amino]-[(3R,4R)-2-ethyl-4-hydroxy-5-methyloxolan-3-yl]oxyphosphanyl]oxypropanenitrile
CID 58590317
CID 158529126
CID 158529126
CID 123492279
CID 123492279
CID 154003075
CID 154003075
3-[[(2R,3R,4R,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxy-2-(2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxymethoxymethoxy]propanenitrile
CID 90254616
3-[chloro-[di(propan-2-yl)amino]phosphanyl]oxypropanenitrile;3-[[di(propan-2-yl)amino]-[[(2S,6R)-6-ethyl-3,4,5-tris(phenylmethoxy)oxan-2-yl]methoxy]phosphanyl]oxypropanenitrile;ethane
CID 91196833
CID 20782811
CID 20782811
CID 160623720
CID 160623720
CID 87153387
CID 87153387
3-[[di(propan-2-yl)amino]-[(2R,3R,4S,5S,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyphosphanyl]oxypropanenitrile
CID 102030990
3-[2-(dimethylamino)ethoxy-[di(propan-2-yl)amino]phosphanyl]oxypropanenitrile
CID 88576258

Frequently Asked Questions

What is the IUPAC name of CID 59628408?
The IUPAC name of CID 59628408 (CID 59628408) is not available.
What is the SMILES notation for CID 59628408?
The canonical SMILES for CID 59628408 is [B][C@@H]1O[C@H](CC)C(OP(C)N(C(C)C)C(C)C)[C@@H]1OCOCCC#N.
What is the InChIKey of CID 59628408?
The InChIKey is CPWMFKCFNLFJGC-WRSHKCLDSA-N. The full InChI is InChI=1S/C17H32BN2O4P/c1-7-14-15(24-25(6)20(12(2)3)13(4)5)16(17(18)23-14)22-11-21-10-8-9-19/h12-17H,7-8,10-11H2,1-6H3/t14-,15?,16+,17-,25?/m1/s1.
What are the key properties of CID 59628408?
CID 59628408 has a molecular weight of 370.24 g/mol, XLogP of 3.01, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59628408 is sourced from PubChem (CID 59628408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).