(hydroxy-propan-2-ylimino-propan-2-ylsulfanyl-λ5-phosphanyl) dihydrogen phosphate

C6H17NO5P2S — CID 21113795

IUPAC(hydroxy-propan-2-ylimino-propan-2-ylsulfanyl-λ5-phosphanyl) dihydrogen phosphate
SMILESCC(C)N=P(O)(OP(=O)(O)O)SC(C)C
InChIInChI=1S/C6H17NO5P2S/c1-5(2)7-13(8,15-6(3)4)12-14(9,10)11/h5-6,8H,1-4H3,(H2,9,10,11)
InChIKeyOGGQEMWNWNBTEF-UHFFFAOYSA-N
MW277.22 g/mol
LogP2.58
Rot. Bonds5

About (hydroxy-propan-2-ylimino-propan-2-ylsulfanyl-λ5-phosphanyl) dihydrogen phosphate

(hydroxy-propan-2-ylimino-propan-2-ylsulfanyl-λ5-phosphanyl) dihydrogen phosphate (PubChem CID 21113795) has the molecular formula C6H17NO5P2S and a molecular weight of 277.22 g/mol. Its IUPAC name is (hydroxy-propan-2-ylimino-propan-2-ylsulfanyl-λ5-phosphanyl) dihydrogen phosphate.

Molecular Properties

Compound Name(hydroxy-propan-2-ylimino-propan-2-ylsulfanyl-λ5-phosphanyl) dihydrogen phosphate
PubChem CID21113795
Molecular FormulaC6H17NO5P2S
Molecular Weight277.22 g/mol
Exact Mass277.03
IUPAC Name(hydroxy-propan-2-ylimino-propan-2-ylsulfanyl-λ5-phosphanyl) dihydrogen phosphate
SMILESCC(C)N=P(O)(OP(=O)(O)O)SC(C)C
InChIInChI=1S/C6H17NO5P2S/c1-5(2)7-13(8,15-6(3)4)12-14(9,10)11/h5-6,8H,1-4H3,(H2,9,10,11)
InChIKeyOGGQEMWNWNBTEF-UHFFFAOYSA-N
XLogP2.58
TPSA99.35 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.22
LogP ≤ 52.58
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

bis(propan-2-ylsulfanyl)phosphinic acid
CID 12518112
azane;hydron;phosphono dihydrogen phosphate
CID 173267420
dialuminum;phosphono dihydrogen phosphate
CID 175801807
hafnium;phosphono dihydrogen phosphate
CID 173013366
phosphono dihydrogen phosphate;tellane
CID 174550958
phosphono dihydrogen phosphate;silver
CID 131872547
phosphoric acid;2-(propan-2-yldisulfanyl)propane
CID 174843225
azane;methyl phosphono hydrogen phosphate
CID 175124465
[hydroxy(phosphonooxy)phosphoryl] propan-2-yl hydrogen phosphate
CID 59471512
beryllium;hydride;phosphono dihydrogen phosphate
CID 174815084
magnesium pyrophosphate hydrate
CID 176515646
copper;phosphono dihydrogen phosphate;phosphoric acid
CID 173436835

Frequently Asked Questions

What is the IUPAC name of (hydroxy-propan-2-ylimino-propan-2-ylsulfanyl-λ5-phosphanyl) dihydrogen phosphate?
The IUPAC name of (hydroxy-propan-2-ylimino-propan-2-ylsulfanyl-λ5-phosphanyl) dihydrogen phosphate (CID 21113795) is (hydroxy-propan-2-ylimino-propan-2-ylsulfanyl-λ5-phosphanyl) dihydrogen phosphate.
What is the SMILES notation for (hydroxy-propan-2-ylimino-propan-2-ylsulfanyl-λ5-phosphanyl) dihydrogen phosphate?
The canonical SMILES for (hydroxy-propan-2-ylimino-propan-2-ylsulfanyl-λ5-phosphanyl) dihydrogen phosphate is CC(C)N=P(O)(OP(=O)(O)O)SC(C)C.
What is the InChIKey of (hydroxy-propan-2-ylimino-propan-2-ylsulfanyl-λ5-phosphanyl) dihydrogen phosphate?
The InChIKey is OGGQEMWNWNBTEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H17NO5P2S/c1-5(2)7-13(8,15-6(3)4)12-14(9,10)11/h5-6,8H,1-4H3,(H2,9,10,11).
What are the key properties of (hydroxy-propan-2-ylimino-propan-2-ylsulfanyl-λ5-phosphanyl) dihydrogen phosphate?
(hydroxy-propan-2-ylimino-propan-2-ylsulfanyl-λ5-phosphanyl) dihydrogen phosphate has a molecular weight of 277.22 g/mol, XLogP of 2.58, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (hydroxy-propan-2-ylimino-propan-2-ylsulfanyl-λ5-phosphanyl) dihydrogen phosphate is sourced from PubChem (CID 21113795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).