(5S)-5-(1,2,3-trihydroxypropyl)-1,3-oxazolidin-2-one

C6H11NO5 — CID 22804691

IUPAC(5S)-5-(1,2,3-trihydroxypropyl)-1,3-oxazolidin-2-one
SMILESO=C1NC[C@@H](C(O)C(O)CO)O1
InChIInChI=1S/C6H11NO5/c8-2-3(9)5(10)4-1-7-6(11)12-4/h3-5,8-10H,1-2H2,(H,7,11)/t3?,4-,5?/m0/s1
InChIKeyFBQAJLVTORRIDK-QHWRUIEBSA-N
MW177.16 g/mol
LogP-2.19
Rot. Bonds3

About (5S)-5-(1,2,3-trihydroxypropyl)-1,3-oxazolidin-2-one

(5S)-5-(1,2,3-trihydroxypropyl)-1,3-oxazolidin-2-one (PubChem CID 22804691) has the molecular formula C6H11NO5 and a molecular weight of 177.16 g/mol. Its IUPAC name is (5S)-5-(1,2,3-trihydroxypropyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(5S)-5-(1,2,3-trihydroxypropyl)-1,3-oxazolidin-2-one
PubChem CID22804691
Molecular FormulaC6H11NO5
Molecular Weight177.16 g/mol
Exact Mass177.06
IUPAC Name(5S)-5-(1,2,3-trihydroxypropyl)-1,3-oxazolidin-2-one
SMILESO=C1NC[C@@H](C(O)C(O)CO)O1
InChIInChI=1S/C6H11NO5/c8-2-3(9)5(10)4-1-7-6(11)12-4/h3-5,8-10H,1-2H2,(H,7,11)/t3?,4-,5?/m0/s1
InChIKeyFBQAJLVTORRIDK-QHWRUIEBSA-N
XLogP-2.19
TPSA99.02 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.16
LogP ≤ 5-2.19
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 374239
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CID 373606
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CID 2817325
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CID 11658434
CID 11658434
CID 44159563
CID 44159563
CID 374240
CID 374240
CID 374241
CID 374241
CID 14408783
CID 14408783
CID 123463929
CID 123463929
CID 135018081
CID 135018081
CID 14888191
CID 14888191

Frequently Asked Questions

What is the IUPAC name of (5S)-5-(1,2,3-trihydroxypropyl)-1,3-oxazolidin-2-one?
The IUPAC name of (5S)-5-(1,2,3-trihydroxypropyl)-1,3-oxazolidin-2-one (CID 22804691) is (5S)-5-(1,2,3-trihydroxypropyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for (5S)-5-(1,2,3-trihydroxypropyl)-1,3-oxazolidin-2-one?
The canonical SMILES for (5S)-5-(1,2,3-trihydroxypropyl)-1,3-oxazolidin-2-one is O=C1NC[C@@H](C(O)C(O)CO)O1.
What is the InChIKey of (5S)-5-(1,2,3-trihydroxypropyl)-1,3-oxazolidin-2-one?
The InChIKey is FBQAJLVTORRIDK-QHWRUIEBSA-N. The full InChI is InChI=1S/C6H11NO5/c8-2-3(9)5(10)4-1-7-6(11)12-4/h3-5,8-10H,1-2H2,(H,7,11)/t3?,4-,5?/m0/s1.
What are the key properties of (5S)-5-(1,2,3-trihydroxypropyl)-1,3-oxazolidin-2-one?
(5S)-5-(1,2,3-trihydroxypropyl)-1,3-oxazolidin-2-one has a molecular weight of 177.16 g/mol, XLogP of -2.19, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-(1,2,3-trihydroxypropyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 22804691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).