(2R)-2-amino-3-hydroxy-3-oxopropane-1-sulfinate

C3H6NO4S- — CID 6398956

IUPAC(2R)-2-amino-3-hydroxy-3-oxopropane-1-sulfinate
SMILESN[C@@H](CS(=O)[O-])C(=O)O
InChIInChI=1S/C3H7NO4S/c4-2(3(5)6)1-9(7)8/h2H,1,4H2,(H,5,6)(H,7,8)/p-1/t2-/m0/s1
InChIKeyADVPTQAUNPRNPO-REOHCLBHSA-M
MW152.15 g/mol
LogP-1.72
Rot. Bonds3

About (2R)-2-amino-3-hydroxy-3-oxopropane-1-sulfinate

(2R)-2-amino-3-hydroxy-3-oxopropane-1-sulfinate (PubChem CID 6398956) has the molecular formula C3H6NO4S- and a molecular weight of 152.15 g/mol. Its IUPAC name is (2R)-2-amino-3-hydroxy-3-oxopropane-1-sulfinate.

Molecular Properties

Compound Name(2R)-2-amino-3-hydroxy-3-oxopropane-1-sulfinate
PubChem CID6398956
Molecular FormulaC3H6NO4S-
Molecular Weight152.15 g/mol
Exact Mass152.00
IUPAC Name(2R)-2-amino-3-hydroxy-3-oxopropane-1-sulfinate
SMILESN[C@@H](CS(=O)[O-])C(=O)O
InChIInChI=1S/C3H7NO4S/c4-2(3(5)6)1-9(7)8/h2H,1,4H2,(H,5,6)(H,7,8)/p-1/t2-/m0/s1
InChIKeyADVPTQAUNPRNPO-REOHCLBHSA-M
XLogP-1.72
TPSA103.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.15
LogP ≤ 5-1.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-3-hydroxy-3-oxopropane-1-sulfinate?
The IUPAC name of (2R)-2-amino-3-hydroxy-3-oxopropane-1-sulfinate (CID 6398956) is (2R)-2-amino-3-hydroxy-3-oxopropane-1-sulfinate.
What is the SMILES notation for (2R)-2-amino-3-hydroxy-3-oxopropane-1-sulfinate?
The canonical SMILES for (2R)-2-amino-3-hydroxy-3-oxopropane-1-sulfinate is N[C@@H](CS(=O)[O-])C(=O)O.
What is the InChIKey of (2R)-2-amino-3-hydroxy-3-oxopropane-1-sulfinate?
The InChIKey is ADVPTQAUNPRNPO-REOHCLBHSA-M. The full InChI is InChI=1S/C3H7NO4S/c4-2(3(5)6)1-9(7)8/h2H,1,4H2,(H,5,6)(H,7,8)/p-1/t2-/m0/s1.
What are the key properties of (2R)-2-amino-3-hydroxy-3-oxopropane-1-sulfinate?
(2R)-2-amino-3-hydroxy-3-oxopropane-1-sulfinate has a molecular weight of 152.15 g/mol, XLogP of -1.72, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-3-hydroxy-3-oxopropane-1-sulfinate is sourced from PubChem (CID 6398956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).