morpholin-4-yl dihydrogen phosphate

C4H10NO5P — CID 57078331

IUPACmorpholin-4-yl dihydrogen phosphate
SMILESO=P(O)(O)ON1CCOCC1
InChIInChI=1S/C4H10NO5P/c6-11(7,8)10-5-1-3-9-4-2-5/h1-4H2,(H2,6,7,8)
InChIKeyOMUIQYYMRCBHMU-UHFFFAOYSA-N
MW183.10 g/mol
LogP-0.66
Rot. Bonds2

About morpholin-4-yl dihydrogen phosphate

morpholin-4-yl dihydrogen phosphate (PubChem CID 57078331) has the molecular formula C4H10NO5P and a molecular weight of 183.10 g/mol. Its IUPAC name is morpholin-4-yl dihydrogen phosphate.

Molecular Properties

Compound Namemorpholin-4-yl dihydrogen phosphate
PubChem CID57078331
Molecular FormulaC4H10NO5P
Molecular Weight183.10 g/mol
Exact Mass183.03
IUPAC Namemorpholin-4-yl dihydrogen phosphate
SMILESO=P(O)(O)ON1CCOCC1
InChIInChI=1S/C4H10NO5P/c6-11(7,8)10-5-1-3-9-4-2-5/h1-4H2,(H2,6,7,8)
InChIKeyOMUIQYYMRCBHMU-UHFFFAOYSA-N
XLogP-0.66
TPSA79.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.10
LogP ≤ 5-0.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[amino(chloro)phosphoryl]oxymorpholine
CID 126510145
dimorpholin-4-ylphosphinic acid
CID 4193589
oxirane;phosphono dihydrogen phosphate
CID 88636604
4-morpholin-4-yloxymorpholine;dihydrochloride
CID 174483627
4-(trioxidanyl)morpholine
CID 58031133
1,4,7,10,13-pentaoxa-16-azacyclooctadec-16-ylmethylphosphonic acid
CID 101017054
morpholin-4-yl nitrite
CID 57324165
trimorpholin-4-yl borate
CID 57215155
morpholin-4-ylmethylsulfanylphosphonic acid
CID 129026686
2-[16-(2-phosphonoethyl)-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]ethylphosphonic acid
CID 20570588
morpholin-4-yloxycarbonylcarbamodithioic acid
CID 175282224
dihydroxy-morpholin-4-ylsulfanyl-sulfanylidene-λ5-phosphane
CID 57206002

Frequently Asked Questions

What is the IUPAC name of morpholin-4-yl dihydrogen phosphate?
The IUPAC name of morpholin-4-yl dihydrogen phosphate (CID 57078331) is morpholin-4-yl dihydrogen phosphate.
What is the SMILES notation for morpholin-4-yl dihydrogen phosphate?
The canonical SMILES for morpholin-4-yl dihydrogen phosphate is O=P(O)(O)ON1CCOCC1.
What is the InChIKey of morpholin-4-yl dihydrogen phosphate?
The InChIKey is OMUIQYYMRCBHMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10NO5P/c6-11(7,8)10-5-1-3-9-4-2-5/h1-4H2,(H2,6,7,8).
What are the key properties of morpholin-4-yl dihydrogen phosphate?
morpholin-4-yl dihydrogen phosphate has a molecular weight of 183.10 g/mol, XLogP of -0.66, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for morpholin-4-yl dihydrogen phosphate is sourced from PubChem (CID 57078331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).