CID 59102120

C5H10NO3Se — CID 59102120

IUPAC—
SMILESNCC1OC([Se])C(O)C1O
InChIInChI=1S/C5H10NO3Se/c6-1-2-3(7)4(8)5(10)9-2/h2-5,7-8H,1,6H2
InChIKeyDYGKRYYVWLFTKG-UHFFFAOYSA-N
MW211.10 g/mol
LogP-2.44
Rot. Bonds1

About CID 59102120

CID 59102120 (PubChem CID 59102120) has the molecular formula C5H10NO3Se and a molecular weight of 211.10 g/mol.

Molecular Properties

Compound NameCID 59102120
PubChem CID59102120
Molecular FormulaC5H10NO3Se
Molecular Weight211.10 g/mol
Exact Mass211.98
IUPAC Name—
SMILESNCC1OC([Se])C(O)C1O
InChIInChI=1S/C5H10NO3Se/c6-1-2-3(7)4(8)5(10)9-2/h2-5,7-8H,1,6H2
InChIKeyDYGKRYYVWLFTKG-UHFFFAOYSA-N
XLogP-2.44
TPSA75.71 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.10
LogP ≤ 5-2.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

CID 18598956
CID 18598956
(2R,5R)-5-(aminomethyl)oxolane-2,3,4-triol
CID 89194762
(3R,4R,5R,6S)-6-(aminomethyl)oxane-2,3,4,5-tetrol
CID 71299265
(3R,4R,5R,6R)-2-(aminomethyl)-6-(hydroxymethyl)oxane-3,4,5-triol
CID 91077336
(2S,3R,4S,5S,6R)-2-(aminomethyl)-6-(hydroxymethyl)oxane-3,4,5-triol
CID 13472020
CID 6327951
CID 6327951
(2S,3R,4S,5R,6S)-3-amino-6-(aminomethyl)oxane-2,4,5-triol
CID 125028687
(2R,3S,4S)-5-(aminomethyl)-3,4-dihydroxyoxolane-2-carboxylic acid
CID 129100417
(2R,3S,4R,5R)-5-amino-2-(aminomethyl)-6-chlorooxane-3,4-diol
CID 22816603
(4S,5S,6R)-2-(aminomethyl)-6-methoxyoxane-3,4,5-triol
CID 59109229
(2R,3R,4S,5S,6S)-2-(aminomethyl)-6-methoxyoxane-3,4,5-triol
CID 131089341
2-(1-aminoethyl)-6-(aminomethyl)oxane-3,4,5-triol
CID 143647712

Frequently Asked Questions

What is the IUPAC name of CID 59102120?
The IUPAC name of CID 59102120 (CID 59102120) is not available.
What is the SMILES notation for CID 59102120?
The canonical SMILES for CID 59102120 is NCC1OC([Se])C(O)C1O.
What is the InChIKey of CID 59102120?
The InChIKey is DYGKRYYVWLFTKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10NO3Se/c6-1-2-3(7)4(8)5(10)9-2/h2-5,7-8H,1,6H2.
What are the key properties of CID 59102120?
CID 59102120 has a molecular weight of 211.10 g/mol, XLogP of -2.44, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59102120 is sourced from PubChem (CID 59102120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).