(3-amino-2-hydroxypropyl) dihydrogen phosphite

C3H10NO4P — CID 174521537

IUPAC(3-amino-2-hydroxypropyl) dihydrogen phosphite
SMILESNCC(O)COP(O)O
InChIInChI=1S/C3H10NO4P/c4-1-3(5)2-8-9(6)7/h3,5-7H,1-2,4H2
InChIKeyTWWMQXANSROQHA-UHFFFAOYSA-N
MW155.09 g/mol
LogP-1.47
Rot. Bonds4

About (3-amino-2-hydroxypropyl) dihydrogen phosphite

(3-amino-2-hydroxypropyl) dihydrogen phosphite (PubChem CID 174521537) has the molecular formula C3H10NO4P and a molecular weight of 155.09 g/mol. Its IUPAC name is (3-amino-2-hydroxypropyl) dihydrogen phosphite.

Molecular Properties

Compound Name(3-amino-2-hydroxypropyl) dihydrogen phosphite
PubChem CID174521537
Molecular FormulaC3H10NO4P
Molecular Weight155.09 g/mol
Exact Mass155.03
IUPAC Name(3-amino-2-hydroxypropyl) dihydrogen phosphite
SMILESNCC(O)COP(O)O
InChIInChI=1S/C3H10NO4P/c4-1-3(5)2-8-9(6)7/h3,5-7H,1-2,4H2
InChIKeyTWWMQXANSROQHA-UHFFFAOYSA-N
XLogP-1.47
TPSA95.94 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.09
LogP ≤ 5-1.47
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3-amino-2-hydroxypropyl) dihydrogen phosphite?
The IUPAC name of (3-amino-2-hydroxypropyl) dihydrogen phosphite (CID 174521537) is (3-amino-2-hydroxypropyl) dihydrogen phosphite.
What is the SMILES notation for (3-amino-2-hydroxypropyl) dihydrogen phosphite?
The canonical SMILES for (3-amino-2-hydroxypropyl) dihydrogen phosphite is NCC(O)COP(O)O.
What is the InChIKey of (3-amino-2-hydroxypropyl) dihydrogen phosphite?
The InChIKey is TWWMQXANSROQHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H10NO4P/c4-1-3(5)2-8-9(6)7/h3,5-7H,1-2,4H2.
What are the key properties of (3-amino-2-hydroxypropyl) dihydrogen phosphite?
(3-amino-2-hydroxypropyl) dihydrogen phosphite has a molecular weight of 155.09 g/mol, XLogP of -1.47, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-2-hydroxypropyl) dihydrogen phosphite is sourced from PubChem (CID 174521537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).