CID 59974518

C9H19BO6P2 — CID 59974518

IUPAC—
SMILES[B][C@@H]1O[C@H](COP(C)(=O)O)C(CP(C)(=O)O)C1C
InChIInChI=1S/C9H19BO6P2/c1-6-7(5-17(2,11)12)8(16-9(6)10)4-15-18(3,13)14/h6-9H,4-5H2,1-3H3,(H,11,12)(H,13,14)/t6?,7?,8-,9-/m1/s1
InChIKeyYNRHUNKWRKVHFV-GEPGNKONSA-N
MW296.01 g/mol
LogP0.86
Rot. Bonds5

About CID 59974518

CID 59974518 (PubChem CID 59974518) has the molecular formula C9H19BO6P2 and a molecular weight of 296.01 g/mol.

Molecular Properties

Compound NameCID 59974518
PubChem CID59974518
Molecular FormulaC9H19BO6P2
Molecular Weight296.01 g/mol
Exact Mass296.07
IUPAC Name—
SMILES[B][C@@H]1O[C@H](COP(C)(=O)O)C(CP(C)(=O)O)C1C
InChIInChI=1S/C9H19BO6P2/c1-6-7(5-17(2,11)12)8(16-9(6)10)4-15-18(3,13)14/h6-9H,4-5H2,1-3H3,(H,11,12)(H,13,14)/t6?,7?,8-,9-/m1/s1
InChIKeyYNRHUNKWRKVHFV-GEPGNKONSA-N
XLogP0.86
TPSA93.06 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.01
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 174025294
CID 174025294
[(2R,3S,4S,5S)-4-hydroxy-3-methoxy-5-methyloxolan-2-yl]methoxy-methylphosphinic acid
CID 158256198
CID 159251594
CID 159251594
methyl-[[(3S,4S,6S)-3,4,5,6-tetrahydroxyoxan-2-yl]methoxy]phosphinic acid
CID 89181885
CID 163774685
CID 163774685
[(2R,3S,4R)-3,4-dihydroxy-5-methyloxolan-2-yl]methyl dihydrogen phosphate
CID 166808827
[(2R,3S,4R,5R,6S)-6-tert-butyl-3,4,5-trihydroxyoxan-2-yl]methoxy-methylphosphinic acid
CID 59119173
CID 20816832
CID 20816832
CID 174319424
CID 174319424
[hydroxy-[hydroxy-[[(2R,3R,5S)-3-hydroxy-4,5-dimethyloxolan-2-yl]methoxy]phosphoryl]oxyphosphoryl]oxy-methylphosphinic acid
CID 160945376
CID 58581223
CID 58581223
CID 135028849
CID 135028849

Frequently Asked Questions

What is the IUPAC name of CID 59974518?
The IUPAC name of CID 59974518 (CID 59974518) is not available.
What is the SMILES notation for CID 59974518?
The canonical SMILES for CID 59974518 is [B][C@@H]1O[C@H](COP(C)(=O)O)C(CP(C)(=O)O)C1C.
What is the InChIKey of CID 59974518?
The InChIKey is YNRHUNKWRKVHFV-GEPGNKONSA-N. The full InChI is InChI=1S/C9H19BO6P2/c1-6-7(5-17(2,11)12)8(16-9(6)10)4-15-18(3,13)14/h6-9H,4-5H2,1-3H3,(H,11,12)(H,13,14)/t6?,7?,8-,9-/m1/s1.
What are the key properties of CID 59974518?
CID 59974518 has a molecular weight of 296.01 g/mol, XLogP of 0.86, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59974518 is sourced from PubChem (CID 59974518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).