CID 148783137

C11H21BNO6P — CID 148783137

IUPAC—
SMILES[B][C@@H]1O[C@H](/C=C/P(=O)(O)O)C(O)C1OC(C)CC(C)N
InChIInChI=1S/C11H21BNO6P/c1-6(13)5-7(2)18-10-9(14)8(19-11(10)12)3-4-20(15,16)17/h3-4,6-11,14H,5,13H2,1-2H3,(H2,15,16,17)/b4-3+/t6?,7?,8-,9?,10?,11-/m1/s1
InChIKeyFWBVBXHYSHHENY-BFZNONTNSA-N
MW305.08 g/mol
LogP-0.56
Rot. Bonds6

About CID 148783137

CID 148783137 (PubChem CID 148783137) has the molecular formula C11H21BNO6P and a molecular weight of 305.08 g/mol.

Molecular Properties

Compound NameCID 148783137
PubChem CID148783137
Molecular FormulaC11H21BNO6P
Molecular Weight305.08 g/mol
Exact Mass305.12
IUPAC Name—
SMILES[B][C@@H]1O[C@H](/C=C/P(=O)(O)O)C(O)C1OC(C)CC(C)N
InChIInChI=1S/C11H21BNO6P/c1-6(13)5-7(2)18-10-9(14)8(19-11(10)12)3-4-20(15,16)17/h3-4,6-11,14H,5,13H2,1-2H3,(H2,15,16,17)/b4-3+/t6?,7?,8-,9?,10?,11-/m1/s1
InChIKeyFWBVBXHYSHHENY-BFZNONTNSA-N
XLogP-0.56
TPSA122.24 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.08
LogP ≤ 5-0.56
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

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[(E)-2-[(2R,4R)-3-hydroxy-4-methoxyoxolan-2-yl]ethenyl]phosphonic acid
CID 147828707
[(E)-2-[3-hydroxy-6-methoxy-4,5-bis(phenylmethoxy)oxan-2-yl]ethenyl]phosphonic acid
CID 146367072
CID 163774685
CID 163774685
CID 90371270
CID 90371270
CID 88533246
CID 88533246
CID 174045763
CID 174045763
CID 87153381
CID 87153381
CID 174134949
CID 174134949
[(E)-2-[(2R,4R,5S)-3-[hydroxy(methoxy)phosphoryl]oxy-4-methoxy-5-methyloxolan-2-yl]ethenyl]phosphonic acid
CID 157126814

Frequently Asked Questions

What is the IUPAC name of CID 148783137?
The IUPAC name of CID 148783137 (CID 148783137) is not available.
What is the SMILES notation for CID 148783137?
The canonical SMILES for CID 148783137 is [B][C@@H]1O[C@H](/C=C/P(=O)(O)O)C(O)C1OC(C)CC(C)N.
What is the InChIKey of CID 148783137?
The InChIKey is FWBVBXHYSHHENY-BFZNONTNSA-N. The full InChI is InChI=1S/C11H21BNO6P/c1-6(13)5-7(2)18-10-9(14)8(19-11(10)12)3-4-20(15,16)17/h3-4,6-11,14H,5,13H2,1-2H3,(H2,15,16,17)/b4-3+/t6?,7?,8-,9?,10?,11-/m1/s1.
What are the key properties of CID 148783137?
CID 148783137 has a molecular weight of 305.08 g/mol, XLogP of -0.56, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 148783137 is sourced from PubChem (CID 148783137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).