CID 20778751

C7H14BO9P2- — CID 20778751

IUPAC—
SMILES[B]C1OC(COP(=O)(O)OP(=O)([O-])CC)C(O)C1O
InChIInChI=1S/C7H15BO9P2/c1-2-18(11,12)17-19(13,14)15-3-4-5(9)6(10)7(8)16-4/h4-7,9-10H,2-3H2,1H3,(H,11,12)(H,13,14)/p-1
InChIKeyQEXIXEKCVLJBAT-UHFFFAOYSA-M
MW314.94 g/mol
LogP-1.69
Rot. Bonds6

About CID 20778751

CID 20778751 (PubChem CID 20778751) has the molecular formula C7H14BO9P2- and a molecular weight of 314.94 g/mol.

Molecular Properties

Compound NameCID 20778751
PubChem CID20778751
Molecular FormulaC7H14BO9P2-
Molecular Weight314.94 g/mol
Exact Mass315.02
IUPAC Name—
SMILES[B]C1OC(COP(=O)(O)OP(=O)([O-])CC)C(O)C1O
InChIInChI=1S/C7H15BO9P2/c1-2-18(11,12)17-19(13,14)15-3-4-5(9)6(10)7(8)16-4/h4-7,9-10H,2-3H2,1H3,(H,11,12)(H,13,14)/p-1
InChIKeyQEXIXEKCVLJBAT-UHFFFAOYSA-M
XLogP-1.69
TPSA145.58 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.94
LogP ≤ 5-1.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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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CID 163774685
[[(2R,4S,5S)-3,4-dihydroxy-5-methyloxolan-2-yl]methoxy-hydroxyphosphoryl] [hydroxy(methoxy)phosphoryl] hydrogen phosphate
CID 164962940
CID 159251594
CID 159251594
[(2R,3S,4S,5R,6S)-3,4,5,6-tetrahydroxyoxan-2-yl]methyl hydrogen phosphate
CID 42609823
hydroxy [(2R,3S,4R,5S)-3,4,5-trihydroxyoxolan-2-yl]methyl hydrogen phosphate
CID 171123123
CID 174045763
CID 174045763
[(2R,3S,4R)-3,4,5-trihydroxy(413C)oxolan-2-yl]methyl phosphate
CID 24794356
[3,4-dihydroxy-5-[hydroxy(phosphonooxy)phosphoryl]oxyoxolan-2-yl]methyl phosphate
CID 171319492
[hydroxy-[hydroxy-[[(2R,3R,5S)-3-hydroxy-4,5-dimethyloxolan-2-yl]methoxy]phosphoryl]oxyphosphoryl]oxy-methylphosphinic acid
CID 160945376

Frequently Asked Questions

What is the IUPAC name of CID 20778751?
The IUPAC name of CID 20778751 (CID 20778751) is not available.
What is the SMILES notation for CID 20778751?
The canonical SMILES for CID 20778751 is [B]C1OC(COP(=O)(O)OP(=O)([O-])CC)C(O)C1O.
What is the InChIKey of CID 20778751?
The InChIKey is QEXIXEKCVLJBAT-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H15BO9P2/c1-2-18(11,12)17-19(13,14)15-3-4-5(9)6(10)7(8)16-4/h4-7,9-10H,2-3H2,1H3,(H,11,12)(H,13,14)/p-1.
What are the key properties of CID 20778751?
CID 20778751 has a molecular weight of 314.94 g/mol, XLogP of -1.69, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for CID 20778751 is sourced from PubChem (CID 20778751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).