2-amino-2-(hydroxymethyl)propane-1,3-diol;hydroxymethyl dihydrogen phosphate;methanamine

C6H21N2O8P — CID 88828638

IUPAC2-amino-2-(hydroxymethyl)propane-1,3-diol;hydroxymethyl dihydrogen phosphate;methanamine
SMILESCN.NC(CO)(CO)CO.O=P(O)(O)OCO
InChIInChI=1S/C4H11NO3.CH5N.CH5O5P/c5-4(1-6,2-7)3-8;1-2;2-1-6-7(3,4)5/h6-8H,1-3,5H2;2H2,1H3;2H,1H2,(H2,3,4,5)
InChIKeyBACJVSYEBMLOBB-UHFFFAOYSA-N
MW280.21 g/mol
LogP-3.72
Rot. Bonds5

About 2-amino-2-(hydroxymethyl)propane-1,3-diol;hydroxymethyl dihydrogen phosphate;methanamine

2-amino-2-(hydroxymethyl)propane-1,3-diol;hydroxymethyl dihydrogen phosphate;methanamine (PubChem CID 88828638) has the molecular formula C6H21N2O8P and a molecular weight of 280.21 g/mol. Its IUPAC name is 2-amino-2-(hydroxymethyl)propane-1,3-diol;hydroxymethyl dihydrogen phosphate;methanamine.

Molecular Properties

Compound Name2-amino-2-(hydroxymethyl)propane-1,3-diol;hydroxymethyl dihydrogen phosphate;methanamine
PubChem CID88828638
Molecular FormulaC6H21N2O8P
Molecular Weight280.21 g/mol
Exact Mass280.10
IUPAC Name2-amino-2-(hydroxymethyl)propane-1,3-diol;hydroxymethyl dihydrogen phosphate;methanamine
SMILESCN.NC(CO)(CO)CO.O=P(O)(O)OCO
InChIInChI=1S/C4H11NO3.CH5N.CH5O5P/c5-4(1-6,2-7)3-8;1-2;2-1-6-7(3,4)5/h6-8H,1-3,5H2;2H2,1H3;2H,1H2,(H2,3,4,5)
InChIKeyBACJVSYEBMLOBB-UHFFFAOYSA-N
XLogP-3.72
TPSA199.72 Ų
H-Bond Donors8
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500280.21
LogP ≤ 5-3.72
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

guanidine;hydroxymethyl dihydrogen phosphate
CID 87849395
2-amino-2-(hydroxymethyl)propane-1,3-diol;(2R)-2,3-diphosphonooxypropanoic acid
CID 71311656
2-amino-2-(hydroxymethyl)propane-1,3-diol;chloromethanol;methanamine
CID 88625079
CID 87493832
CID 87493832
2,2-bis(hydroxymethyl)butyl dihydrogen phosphate
CID 18755950
[2-amino-2-(hydroxymethyl)but-3-enyl] dihydrogen phosphate
CID 121321605
bis(hydroxymethyl) hydrogen phosphate
CID 18504364
hydroxymethyl hydrogen phosphate;methane;propane
CID 159004850
lithium;2-amino-2-(hydroxymethyl)propane-1,3-diol;hydride
CID 173034607
2-amino-2-methyl-3-phosphonooxypropanoic acid
CID 3964633
(2-amino-1-hydroxypropan-2-yl)phosphonic acid
CID 22262973
2,2-bis(hydroxymethyl)pentyl dihydrogen phosphate
CID 87966631

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(hydroxymethyl)propane-1,3-diol;hydroxymethyl dihydrogen phosphate;methanamine?
The IUPAC name of 2-amino-2-(hydroxymethyl)propane-1,3-diol;hydroxymethyl dihydrogen phosphate;methanamine (CID 88828638) is 2-amino-2-(hydroxymethyl)propane-1,3-diol;hydroxymethyl dihydrogen phosphate;methanamine.
What is the SMILES notation for 2-amino-2-(hydroxymethyl)propane-1,3-diol;hydroxymethyl dihydrogen phosphate;methanamine?
The canonical SMILES for 2-amino-2-(hydroxymethyl)propane-1,3-diol;hydroxymethyl dihydrogen phosphate;methanamine is CN.NC(CO)(CO)CO.O=P(O)(O)OCO.
What is the InChIKey of 2-amino-2-(hydroxymethyl)propane-1,3-diol;hydroxymethyl dihydrogen phosphate;methanamine?
The InChIKey is BACJVSYEBMLOBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11NO3.CH5N.CH5O5P/c5-4(1-6,2-7)3-8;1-2;2-1-6-7(3,4)5/h6-8H,1-3,5H2;2H2,1H3;2H,1H2,(H2,3,4,5).
What are the key properties of 2-amino-2-(hydroxymethyl)propane-1,3-diol;hydroxymethyl dihydrogen phosphate;methanamine?
2-amino-2-(hydroxymethyl)propane-1,3-diol;hydroxymethyl dihydrogen phosphate;methanamine has a molecular weight of 280.21 g/mol, XLogP of -3.72, 5 rotatable bonds, 8 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(hydroxymethyl)propane-1,3-diol;hydroxymethyl dihydrogen phosphate;methanamine is sourced from PubChem (CID 88828638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).