CID 166559436

C11H23BNO4PS — CID 166559436

IUPAC—
SMILES[B][C@@H]1O[C@H](COC(C)C)[C@@H](OP(O)(=S)C(C)C)[C@H]1N
InChIInChI=1S/C11H23BNO4PS/c1-6(2)15-5-8-10(9(13)11(12)16-8)17-18(14,19)7(3)4/h6-11H,5,13H2,1-4H3,(H,14,19)/t8-,9-,10-,11-,18?/m1/s1
InChIKeyVKLKPNQSPKFGPC-APBGBVCWSA-N
MW307.16 g/mol
LogP0.73
Rot. Bonds6

About CID 166559436

CID 166559436 (PubChem CID 166559436) has the molecular formula C11H23BNO4PS and a molecular weight of 307.16 g/mol.

Molecular Properties

Compound NameCID 166559436
PubChem CID166559436
Molecular FormulaC11H23BNO4PS
Molecular Weight307.16 g/mol
Exact Mass307.12
IUPAC Name—
SMILES[B][C@@H]1O[C@H](COC(C)C)[C@@H](OP(O)(=S)C(C)C)[C@H]1N
InChIInChI=1S/C11H23BNO4PS/c1-6(2)15-5-8-10(9(13)11(12)16-8)17-18(14,19)7(3)4/h6-11H,5,13H2,1-4H3,(H,14,19)/t8-,9-,10-,11-,18?/m1/s1
InChIKeyVKLKPNQSPKFGPC-APBGBVCWSA-N
XLogP0.73
TPSA73.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.16
LogP ≤ 50.73
H-Bond Donors ≤ 52
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

CID 166559453
CID 166559453
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CID 140704944
(2S,3R,5R)-4-dihydroxyphosphinothioyloxy-2-methyl-5-(propan-2-yloxymethyl)oxolan-3-ol
CID 58584292
CID 174045763
CID 174045763
[(2R,3R,5S)-4-amino-5-methyl-2-(propan-2-yloxymethyl)oxolan-3-yl] [(2R,3R,5S)-5-methyl-3-propan-2-yloxyoxolan-2-yl]methyl hydrogen phosphate
CID 59914593
CID 23390102
CID 23390102
CID 59925261
CID 59925261
methyl-[(2R,5S)-5-methyl-2-(propan-2-yloxymethyl)oxolan-3-yl]oxy-oxido-sulfanylidene-λ5-phosphane
CID 58584297
CID 22965180
CID 22965180
CID 20609290
CID 20609290
CID 59905629
CID 59905629
CID 59539992
CID 59539992

Frequently Asked Questions

What is the IUPAC name of CID 166559436?
The IUPAC name of CID 166559436 (CID 166559436) is not available.
What is the SMILES notation for CID 166559436?
The canonical SMILES for CID 166559436 is [B][C@@H]1O[C@H](COC(C)C)[C@@H](OP(O)(=S)C(C)C)[C@H]1N.
What is the InChIKey of CID 166559436?
The InChIKey is VKLKPNQSPKFGPC-APBGBVCWSA-N. The full InChI is InChI=1S/C11H23BNO4PS/c1-6(2)15-5-8-10(9(13)11(12)16-8)17-18(14,19)7(3)4/h6-11H,5,13H2,1-4H3,(H,14,19)/t8-,9-,10-,11-,18?/m1/s1.
What are the key properties of CID 166559436?
CID 166559436 has a molecular weight of 307.16 g/mol, XLogP of 0.73, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 166559436 is sourced from PubChem (CID 166559436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).