(2-amino-4-hydroxycyclopentyl) dihydrogen phosphate

C5H12NO5P — CID 45098875

IUPAC(2-amino-4-hydroxycyclopentyl) dihydrogen phosphate
SMILESNC1CC(O)CC1OP(=O)(O)O
InChIInChI=1S/C5H12NO5P/c6-4-1-3(7)2-5(4)11-12(8,9)10/h3-5,7H,1-2,6H2,(H2,8,9,10)
InChIKeyMLXLPQCXRJEGLD-UHFFFAOYSA-N
MW197.13 g/mol
LogP-1.05
Rot. Bonds2

About (2-amino-4-hydroxycyclopentyl) dihydrogen phosphate

(2-amino-4-hydroxycyclopentyl) dihydrogen phosphate (PubChem CID 45098875) has the molecular formula C5H12NO5P and a molecular weight of 197.13 g/mol. Its IUPAC name is (2-amino-4-hydroxycyclopentyl) dihydrogen phosphate.

Molecular Properties

Compound Name(2-amino-4-hydroxycyclopentyl) dihydrogen phosphate
PubChem CID45098875
Molecular FormulaC5H12NO5P
Molecular Weight197.13 g/mol
Exact Mass197.05
IUPAC Name(2-amino-4-hydroxycyclopentyl) dihydrogen phosphate
SMILESNC1CC(O)CC1OP(=O)(O)O
InChIInChI=1S/C5H12NO5P/c6-4-1-3(7)2-5(4)11-12(8,9)10/h3-5,7H,1-2,6H2,(H2,8,9,10)
InChIKeyMLXLPQCXRJEGLD-UHFFFAOYSA-N
XLogP-1.05
TPSA113.01 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.13
LogP ≤ 5-1.05
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

bis(dihydroxy(oxo)phosphanium);[(1R)-5-hydroxy-2,3-diphosphonooxycyclohexyl] dihydrogen phosphate;phosphonous acid;trihydrate
CID 159936380
[(1R,2S,4R,5R)-3-amino-2,4,5,6-tetraphosphonooxycyclohexyl] dihydrogen phosphate
CID 10907989
[(1S,2S,4S,6S)-2,4-dihydroxy-6-(2-hydroxyethoxy)cyclohexyl] dihydrogen phosphate
CID 15265948
(2,5-dihydroxy-3,4,6-triphosphonooxycyclohexyl) dihydrogen phosphate
CID 477
(2-hydroxycyclopentyl) dihydrogen phosphate
CID 74986939
(1S,3R,4R)-3-amino-4-(1-hydroxycyclopentyl)oxycyclopentan-1-ol
CID 70855036
(2,3,4,5,6-pentaphosphonooxycyclohexyl) dihydrogen phosphate;phosphane
CID 87060873
[(1R,2R,3R,4R,5S,6S)-2,3-dihydroxy-4,5,6-triphosphonooxycyclohexyl] dihydrogen phosphate
CID 11762822
[(2S,3R,5S,6S)-2,3,5,6-tetrahydroxycyclohexyl] dihydrogen phosphate
CID 15886560
(5-amino-3,4-dihydroxyoxan-2-yl) dihydrogen phosphate
CID 115
Phytic acid dimagnesium tetrapotassium salt, ~95%
CID 71308444
[(3S,5R)-3,5-diphosphonooxyoxan-4-yl] dihydrogen phosphate
CID 141242821

Frequently Asked Questions

What is the IUPAC name of (2-amino-4-hydroxycyclopentyl) dihydrogen phosphate?
The IUPAC name of (2-amino-4-hydroxycyclopentyl) dihydrogen phosphate (CID 45098875) is (2-amino-4-hydroxycyclopentyl) dihydrogen phosphate.
What is the SMILES notation for (2-amino-4-hydroxycyclopentyl) dihydrogen phosphate?
The canonical SMILES for (2-amino-4-hydroxycyclopentyl) dihydrogen phosphate is NC1CC(O)CC1OP(=O)(O)O.
What is the InChIKey of (2-amino-4-hydroxycyclopentyl) dihydrogen phosphate?
The InChIKey is MLXLPQCXRJEGLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12NO5P/c6-4-1-3(7)2-5(4)11-12(8,9)10/h3-5,7H,1-2,6H2,(H2,8,9,10).
What are the key properties of (2-amino-4-hydroxycyclopentyl) dihydrogen phosphate?
(2-amino-4-hydroxycyclopentyl) dihydrogen phosphate has a molecular weight of 197.13 g/mol, XLogP of -1.05, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-4-hydroxycyclopentyl) dihydrogen phosphate is sourced from PubChem (CID 45098875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).