CID 88543139

C8H16BO7P — CID 88543139

IUPAC—
SMILES[B][C@@H]1O[C@H](CO)C(OP(=O)(O)OCCC)C1O
InChIInChI=1S/C8H16BO7P/c1-2-3-14-17(12,13)16-7-5(4-10)15-8(9)6(7)11/h5-8,10-11H,2-4H2,1H3,(H,12,13)/t5-,6?,7?,8-/m1/s1
InChIKeyQSRHHMCRACVISR-LFHVAVFRSA-N
MW265.99 g/mol
LogP-0.85
Rot. Bonds6

About CID 88543139

CID 88543139 (PubChem CID 88543139) has the molecular formula C8H16BO7P and a molecular weight of 265.99 g/mol.

Molecular Properties

Compound NameCID 88543139
PubChem CID88543139
Molecular FormulaC8H16BO7P
Molecular Weight265.99 g/mol
Exact Mass266.07
IUPAC Name—
SMILES[B][C@@H]1O[C@H](CO)C(OP(=O)(O)OCCC)C1O
InChIInChI=1S/C8H16BO7P/c1-2-3-14-17(12,13)16-7-5(4-10)15-8(9)6(7)11/h5-8,10-11H,2-4H2,1H3,(H,12,13)/t5-,6?,7?,8-/m1/s1
InChIKeyQSRHHMCRACVISR-LFHVAVFRSA-N
XLogP-0.85
TPSA105.45 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.99
LogP ≤ 5-0.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

[4-hydroxy-2-(hydroxymethyl)-5-methyloxolan-3-yl] (2,3,4-trihydroxy-5-methoxypentyl) hydrogen phosphate
CID 20654327
[(2R,3S,4R,5S)-4,5-dihydroxy-2-(hydroxymethyl)oxolan-3-yl] dihydrogen phosphate
CID 22884854
CID 159489647
CID 159489647
CID 89105923
CID 89105923
CID 163774685
CID 163774685
CID 89182472
CID 89182472
CID 159888747
CID 159888747
2-[[(2R,3R,4R,5S)-4,5-bis[[carboxymethoxy(hydroxy)phosphoryl]oxy]-6-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-hydroxyphosphoryl]oxyacetic acid
CID 54245310
[(2R,3S,4S,5S)-4-hydroxy-5-methyl-2-(2-methylpropyl)oxolan-3-yl] 3-hydroxypropyl hydrogen phosphate
CID 59148902
1-[(2R,3R,4S,5R)-4-[2-ethoxyethoxy(hydroxy)phosphoryl]oxy-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-olate
CID 102111337
[(2R,3R,4S,5R,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-methoxyoxan-2-yl] [(2R,3S,4R,5R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl] hydrogen phosphate
CID 53242805
[(4S,8S,12S,16S,20S)-4,8,12,16,20-pentamethylpentacosyl] [(2S,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] hydrogen phosphate
CID 52929802

Frequently Asked Questions

What is the IUPAC name of CID 88543139?
The IUPAC name of CID 88543139 (CID 88543139) is not available.
What is the SMILES notation for CID 88543139?
The canonical SMILES for CID 88543139 is [B][C@@H]1O[C@H](CO)C(OP(=O)(O)OCCC)C1O.
What is the InChIKey of CID 88543139?
The InChIKey is QSRHHMCRACVISR-LFHVAVFRSA-N. The full InChI is InChI=1S/C8H16BO7P/c1-2-3-14-17(12,13)16-7-5(4-10)15-8(9)6(7)11/h5-8,10-11H,2-4H2,1H3,(H,12,13)/t5-,6?,7?,8-/m1/s1.
What are the key properties of CID 88543139?
CID 88543139 has a molecular weight of 265.99 g/mol, XLogP of -0.85, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 88543139 is sourced from PubChem (CID 88543139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).