(2-hydroxy-2-oxo-1,4,2lambda5-oxazaphosphinan-4-yl)methylphosphonic acid

C4H11NO6P2 — CID 15936130

IUPAC(2-hydroxy-2-oxo-1,4,2lambda5-oxazaphosphinan-4-yl)methylphosphonic acid
SMILESO=P(O)(O)CN1CCOP(=O)(O)C1
InChIInChI=1S/C4H11NO6P2/c6-12(7,8)3-5-1-2-11-13(9,10)4-5/h1-4H2,(H,9,10)(H2,6,7,8)
InChIKeyBFEMYVYZNSBRML-UHFFFAOYSA-N
MW231.08 g/mol
LogP-0.40
Rot. Bonds2

About (2-hydroxy-2-oxo-1,4,2lambda5-oxazaphosphinan-4-yl)methylphosphonic acid

(2-hydroxy-2-oxo-1,4,2lambda5-oxazaphosphinan-4-yl)methylphosphonic acid (PubChem CID 15936130) has the molecular formula C4H11NO6P2 and a molecular weight of 231.08 g/mol. Its IUPAC name is (2-hydroxy-2-oxo-1,4,2lambda5-oxazaphosphinan-4-yl)methylphosphonic acid.

Molecular Properties

Compound Name(2-hydroxy-2-oxo-1,4,2lambda5-oxazaphosphinan-4-yl)methylphosphonic acid
PubChem CID15936130
Molecular FormulaC4H11NO6P2
Molecular Weight231.08 g/mol
Exact Mass231.01
IUPAC Name(2-hydroxy-2-oxo-1,4,2lambda5-oxazaphosphinan-4-yl)methylphosphonic acid
SMILESO=P(O)(O)CN1CCOP(=O)(O)C1
InChIInChI=1S/C4H11NO6P2/c6-12(7,8)3-5-1-2-11-13(9,10)4-5/h1-4H2,(H,9,10)(H2,6,7,8)
InChIKeyBFEMYVYZNSBRML-UHFFFAOYSA-N
XLogP-0.40
TPSA107.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.08
LogP ≤ 5-0.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1,4,7,10,13-pentaoxa-16-azacyclooctadec-16-ylmethylphosphonic acid
CID 101017054
holmium-166(3+);[4,7,10-tris(phosphonomethyl)-1,4,7,10-tetrazacyclododec-1-yl]methylphosphonic acid
CID 10327494
[4,7,10-tris(phosphonomethyl)-1,4,7,10-tetrazacyclododec-1-yl]methylphosphonic acid;zirconium(4+)
CID 140959942
(4,7-diethyl-1,4,7-triazonan-1-yl)methylphosphonic acid
CID 175613741
[4-(phosphonomethyl)-1,7,10-trioxa-4,13-diazacyclooctadec-13-yl]methylphosphonic acid
CID 154388192
[1,2,8-tris(phosphonomethyl)-1,2,5,8-tetrazecan-5-yl]methylphosphonic acid
CID 10168842
2-[16-(2-phosphonoethyl)-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]ethylphosphonic acid
CID 20570588
(2,6-dihydroxy-2,6-dioxo-1,4,2λ5,6λ5-oxazadiphosphinan-4-yl)methyl-[(2,6-dihydroxy-2,6-dioxo-1,4,2λ5,6λ5-oxazadiphosphinan-4-yl)methyl-oxidophosphoryl]oxyphosphinate
CID 123423670
6-ethyl-2-methyl-1,3,6,2λ5-dioxazaphosphocane 2-oxide
CID 170850968
2-[4-(2-oxopropyl)-7,10-bis(phosphonomethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid
CID 175613740
morpholin-4-ylmethylsulfanylphosphonic acid
CID 129026686
1-pyrrolidin-1-ylethylphosphonic acid;pyrrolidin-1-ylmethylphosphonic acid
CID 162251792

Frequently Asked Questions

What is the IUPAC name of (2-hydroxy-2-oxo-1,4,2lambda5-oxazaphosphinan-4-yl)methylphosphonic acid?
The IUPAC name of (2-hydroxy-2-oxo-1,4,2lambda5-oxazaphosphinan-4-yl)methylphosphonic acid (CID 15936130) is (2-hydroxy-2-oxo-1,4,2lambda5-oxazaphosphinan-4-yl)methylphosphonic acid.
What is the SMILES notation for (2-hydroxy-2-oxo-1,4,2lambda5-oxazaphosphinan-4-yl)methylphosphonic acid?
The canonical SMILES for (2-hydroxy-2-oxo-1,4,2lambda5-oxazaphosphinan-4-yl)methylphosphonic acid is O=P(O)(O)CN1CCOP(=O)(O)C1.
What is the InChIKey of (2-hydroxy-2-oxo-1,4,2lambda5-oxazaphosphinan-4-yl)methylphosphonic acid?
The InChIKey is BFEMYVYZNSBRML-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11NO6P2/c6-12(7,8)3-5-1-2-11-13(9,10)4-5/h1-4H2,(H,9,10)(H2,6,7,8).
What are the key properties of (2-hydroxy-2-oxo-1,4,2lambda5-oxazaphosphinan-4-yl)methylphosphonic acid?
(2-hydroxy-2-oxo-1,4,2lambda5-oxazaphosphinan-4-yl)methylphosphonic acid has a molecular weight of 231.08 g/mol, XLogP of -0.40, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-hydroxy-2-oxo-1,4,2lambda5-oxazaphosphinan-4-yl)methylphosphonic acid is sourced from PubChem (CID 15936130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).