2-amino-2-(hydroxymethyl)propane-1,3-diol;dihydroxy-(2-propan-2-ylphenoxy)-sulfanylidene-λ5-phosphane

C13H24NO6PS — CID 87559947

IUPAC2-amino-2-(hydroxymethyl)propane-1,3-diol;dihydroxy-(2-propan-2-ylphenoxy)-sulfanylidene-λ5-phosphane
SMILESCC(C)c1ccccc1OP(O)(O)=S.NC(CO)(CO)CO
InChIInChI=1S/C9H13O3PS.C4H11NO3/c1-7(2)8-5-3-4-6-9(8)12-13(10,11)14;5-4(1-6,2-7)3-8/h3-7H,1-2H3,(H2,10,11,14);6-8H,1-3,5H2
InChIKeyJOOYCYCOFIRFEN-UHFFFAOYSA-N
MW353.38 g/mol
LogP0.06
Rot. Bonds6

About 2-amino-2-(hydroxymethyl)propane-1,3-diol;dihydroxy-(2-propan-2-ylphenoxy)-sulfanylidene-λ5-phosphane

2-amino-2-(hydroxymethyl)propane-1,3-diol;dihydroxy-(2-propan-2-ylphenoxy)-sulfanylidene-λ5-phosphane (PubChem CID 87559947) has the molecular formula C13H24NO6PS and a molecular weight of 353.38 g/mol. Its IUPAC name is 2-amino-2-(hydroxymethyl)propane-1,3-diol;dihydroxy-(2-propan-2-ylphenoxy)-sulfanylidene-λ5-phosphane.

Molecular Properties

Compound Name2-amino-2-(hydroxymethyl)propane-1,3-diol;dihydroxy-(2-propan-2-ylphenoxy)-sulfanylidene-λ5-phosphane
PubChem CID87559947
Molecular FormulaC13H24NO6PS
Molecular Weight353.38 g/mol
Exact Mass353.11
IUPAC Name2-amino-2-(hydroxymethyl)propane-1,3-diol;dihydroxy-(2-propan-2-ylphenoxy)-sulfanylidene-λ5-phosphane
SMILESCC(C)c1ccccc1OP(O)(O)=S.NC(CO)(CO)CO
InChIInChI=1S/C9H13O3PS.C4H11NO3/c1-7(2)8-5-3-4-6-9(8)12-13(10,11)14;5-4(1-6,2-7)3-8/h3-7H,1-2H3,(H2,10,11,14);6-8H,1-3,5H2
InChIKeyJOOYCYCOFIRFEN-UHFFFAOYSA-N
XLogP0.06
TPSA136.40 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.38
LogP ≤ 50.06
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-amino-2-methyl-4-(2-propan-2-ylphenoxy)pentan-1-ol
CID 64804774
bis(2-amino-2-(hydroxymethyl)propane-1,3-diol);(2-carbamoyloxyphenyl) carbamate
CID 175859022
3-amino-2-(2-propan-2-ylphenoxy)butan-1-ol
CID 64898304
[1-amino-2-hydroxy-1-(2-propan-2-ylphenyl)sulfanylethyl]phosphonic acid
CID 70288346
1-propan-2-yl-2-prop-1-en-2-yloxybenzene
CID 22935766
(2-propan-2-ylphenoxy)methyl dihydrogen phosphate
CID 141133004
1-diphenylphosphoryloxy-2-propan-2-ylbenzene
CID 118862439
ethane;1-methoxy-2-propan-2-ylbenzene
CID 142030907
ethane;1-methoxy-2-propan-2-ylbenzene
CID 144548142
(2R)-1-(2-propan-2-ylphenoxy)propan-2-amine
CID 30814005
N-(2,2-difluoro-3-hydroxypropyl)-2-(2-propan-2-ylphenoxy)acetamide
CID 104858235
N-(2,3-dihydroxy-2-methylpropyl)-2-(2-propan-2-ylphenoxy)acetamide
CID 66170658

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(hydroxymethyl)propane-1,3-diol;dihydroxy-(2-propan-2-ylphenoxy)-sulfanylidene-λ5-phosphane?
The IUPAC name of 2-amino-2-(hydroxymethyl)propane-1,3-diol;dihydroxy-(2-propan-2-ylphenoxy)-sulfanylidene-λ5-phosphane (CID 87559947) is 2-amino-2-(hydroxymethyl)propane-1,3-diol;dihydroxy-(2-propan-2-ylphenoxy)-sulfanylidene-λ5-phosphane.
What is the SMILES notation for 2-amino-2-(hydroxymethyl)propane-1,3-diol;dihydroxy-(2-propan-2-ylphenoxy)-sulfanylidene-λ5-phosphane?
The canonical SMILES for 2-amino-2-(hydroxymethyl)propane-1,3-diol;dihydroxy-(2-propan-2-ylphenoxy)-sulfanylidene-λ5-phosphane is CC(C)c1ccccc1OP(O)(O)=S.NC(CO)(CO)CO.
What is the InChIKey of 2-amino-2-(hydroxymethyl)propane-1,3-diol;dihydroxy-(2-propan-2-ylphenoxy)-sulfanylidene-λ5-phosphane?
The InChIKey is JOOYCYCOFIRFEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13O3PS.C4H11NO3/c1-7(2)8-5-3-4-6-9(8)12-13(10,11)14;5-4(1-6,2-7)3-8/h3-7H,1-2H3,(H2,10,11,14);6-8H,1-3,5H2.
What are the key properties of 2-amino-2-(hydroxymethyl)propane-1,3-diol;dihydroxy-(2-propan-2-ylphenoxy)-sulfanylidene-λ5-phosphane?
2-amino-2-(hydroxymethyl)propane-1,3-diol;dihydroxy-(2-propan-2-ylphenoxy)-sulfanylidene-λ5-phosphane has a molecular weight of 353.38 g/mol, XLogP of 0.06, 6 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(hydroxymethyl)propane-1,3-diol;dihydroxy-(2-propan-2-ylphenoxy)-sulfanylidene-λ5-phosphane is sourced from PubChem (CID 87559947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).