CID 154003075

C19H37BN2O6P2 — CID 154003075

IUPAC—
SMILES[B][C@@H]1O[C@H](CCP(=O)(OCC)OCC)CC1OP(OCCC#N)N(C(C)C)C(C)C
InChIInChI=1S/C19H37BN2O6P2/c1-7-25-30(23,26-8-2)13-10-17-14-18(19(20)27-17)28-29(24-12-9-11-21)22(15(3)4)16(5)6/h15-19H,7-10,12-14H2,1-6H3/t17-,18?,19-,29?/m1/s1
InChIKeyUPAZUMSKYWZWCJ-ABRCPDSDSA-N
MW462.27 g/mol
LogP4.59
Rot. Bonds15

About CID 154003075

CID 154003075 (PubChem CID 154003075) has the molecular formula C19H37BN2O6P2 and a molecular weight of 462.27 g/mol.

Molecular Properties

Compound NameCID 154003075
PubChem CID154003075
Molecular FormulaC19H37BN2O6P2
Molecular Weight462.27 g/mol
Exact Mass462.22
IUPAC Name—
SMILES[B][C@@H]1O[C@H](CCP(=O)(OCC)OCC)CC1OP(OCCC#N)N(C(C)C)C(C)C
InChIInChI=1S/C19H37BN2O6P2/c1-7-25-30(23,26-8-2)13-10-17-14-18(19(20)27-17)28-29(24-12-9-11-21)22(15(3)4)16(5)6/h15-19H,7-10,12-14H2,1-6H3/t17-,18?,19-,29?/m1/s1
InChIKeyUPAZUMSKYWZWCJ-ABRCPDSDSA-N
XLogP4.59
TPSA90.25 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds15
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.27
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze CID 154003075 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 123492279
CID 123492279
3-[[(2R,3S,5R)-2-(3-diethoxyphosphorylpropyl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-[di(propan-2-yl)amino]phosphanyl]oxypropanenitrile
CID 178052169
3-[[(2R,3R,4R,5R)-2-(3-diethoxyphosphorylpropyl)-4-(2-methoxyethoxy)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-[di(propan-2-yl)amino]phosphanyl]oxypropanenitrile
CID 178052341
3-[[di(propan-2-yl)amino]-[(3R,4R)-2-ethyl-4-hydroxy-5-methyloxolan-3-yl]oxyphosphanyl]oxypropanenitrile
CID 58590317
CID 158529126
CID 158529126
3-[[(2R,5R)-2-(4-diethoxyphosphoryl-2-methylbutan-2-yl)-5-(2,4-dioxopyrimidin-1-yl)-4-methoxyoxolan-3-yl]oxy-[di(propan-2-yl)amino]phosphanyl]oxypropanenitrile
CID 178052223
3-[[di(propan-2-yl)amino]-[(2R,3S)-2-[[3-methoxypropyl-[(2R,3S)-2-methyloxolan-3-yl]oxyphosphoryl]oxymethyl]oxolan-3-yl]oxyphosphanyl]oxypropanenitrile
CID 134368413
3-[[di(propan-2-yl)amino]-[(4R,5R)-5-methyldithian-4-yl]oxyphosphanyl]oxypropanenitrile
CID 160872825
3-[[di(propan-2-yl)amino]-[(4R,5R)-5-methoxydithian-4-yl]oxyphosphanyl]oxypropanenitrile
CID 164565439
3-[2-deuterioethoxy-[di(propan-2-yl)amino]phosphanyl]oxypropanenitrile
CID 88572187
3-[[di(propan-2-yl)amino]-(2-ethylsulfonylethoxy)phosphanyl]oxypropanenitrile
CID 76660393
3-[[(3R,5R)-1-acetyl-5-(deuteriomethyl)pyrrolidin-3-yl]oxy-[di(propan-2-yl)amino]phosphanyl]oxypropanenitrile
CID 153320620

Frequently Asked Questions

What is the IUPAC name of CID 154003075?
The IUPAC name of CID 154003075 (CID 154003075) is not available.
What is the SMILES notation for CID 154003075?
The canonical SMILES for CID 154003075 is [B][C@@H]1O[C@H](CCP(=O)(OCC)OCC)CC1OP(OCCC#N)N(C(C)C)C(C)C.
What is the InChIKey of CID 154003075?
The InChIKey is UPAZUMSKYWZWCJ-ABRCPDSDSA-N. The full InChI is InChI=1S/C19H37BN2O6P2/c1-7-25-30(23,26-8-2)13-10-17-14-18(19(20)27-17)28-29(24-12-9-11-21)22(15(3)4)16(5)6/h15-19H,7-10,12-14H2,1-6H3/t17-,18?,19-,29?/m1/s1.
What are the key properties of CID 154003075?
CID 154003075 has a molecular weight of 462.27 g/mol, XLogP of 4.59, 15 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for CID 154003075 is sourced from PubChem (CID 154003075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).