(2-hydroxycyclopentyl) dihydrogen phosphate

C5H11O5P — CID 74986939

IUPAC(2-hydroxycyclopentyl) dihydrogen phosphate
SMILESO=P(O)(O)OC1CCCC1O
InChIInChI=1S/C5H11O5P/c6-4-2-1-3-5(4)10-11(7,8)9/h4-6H,1-3H2,(H2,7,8,9)
InChIKeyMQFQKHDLCIKRLT-UHFFFAOYSA-N
MW182.11 g/mol
LogP0.01
Rot. Bonds2

About (2-hydroxycyclopentyl) dihydrogen phosphate

(2-hydroxycyclopentyl) dihydrogen phosphate (PubChem CID 74986939) has the molecular formula C5H11O5P and a molecular weight of 182.11 g/mol. Its IUPAC name is (2-hydroxycyclopentyl) dihydrogen phosphate.

Molecular Properties

Compound Name(2-hydroxycyclopentyl) dihydrogen phosphate
PubChem CID74986939
Molecular FormulaC5H11O5P
Molecular Weight182.11 g/mol
Exact Mass182.03
IUPAC Name(2-hydroxycyclopentyl) dihydrogen phosphate
SMILESO=P(O)(O)OC1CCCC1O
InChIInChI=1S/C5H11O5P/c6-4-2-1-3-5(4)10-11(7,8)9/h4-6H,1-3H2,(H2,7,8,9)
InChIKeyMQFQKHDLCIKRLT-UHFFFAOYSA-N
XLogP0.01
TPSA86.99 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.11
LogP ≤ 50.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2-hydroxycyclopentyl) dihydrogen phosphate?
The IUPAC name of (2-hydroxycyclopentyl) dihydrogen phosphate (CID 74986939) is (2-hydroxycyclopentyl) dihydrogen phosphate.
What is the SMILES notation for (2-hydroxycyclopentyl) dihydrogen phosphate?
The canonical SMILES for (2-hydroxycyclopentyl) dihydrogen phosphate is O=P(O)(O)OC1CCCC1O.
What is the InChIKey of (2-hydroxycyclopentyl) dihydrogen phosphate?
The InChIKey is MQFQKHDLCIKRLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11O5P/c6-4-2-1-3-5(4)10-11(7,8)9/h4-6H,1-3H2,(H2,7,8,9).
What are the key properties of (2-hydroxycyclopentyl) dihydrogen phosphate?
(2-hydroxycyclopentyl) dihydrogen phosphate has a molecular weight of 182.11 g/mol, XLogP of 0.01, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-hydroxycyclopentyl) dihydrogen phosphate is sourced from PubChem (CID 74986939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).