(2R,3R,4R)-2,3,4,5-tetrahydroxy-1-morpholin-4-ylpentan-1-one

C9H17NO6 — CID 140500778

IUPAC(2R,3R,4R)-2,3,4,5-tetrahydroxy-1-morpholin-4-ylpentan-1-one
SMILESO=C([C@H](O)[C@H](O)[C@H](O)CO)N1CCOCC1
InChIInChI=1S/C9H17NO6/c11-5-6(12)7(13)8(14)9(15)10-1-3-16-4-2-10/h6-8,11-14H,1-5H2/t6-,7-,8-/m1/s1
InChIKeyNCYXPKWAIVBYQT-BWZBUEFSSA-N
MW235.24 g/mol
LogP-3.08
Rot. Bonds4

About (2R,3R,4R)-2,3,4,5-tetrahydroxy-1-morpholin-4-ylpentan-1-one

(2R,3R,4R)-2,3,4,5-tetrahydroxy-1-morpholin-4-ylpentan-1-one (PubChem CID 140500778) has the molecular formula C9H17NO6 and a molecular weight of 235.24 g/mol. Its IUPAC name is (2R,3R,4R)-2,3,4,5-tetrahydroxy-1-morpholin-4-ylpentan-1-one.

Molecular Properties

Compound Name(2R,3R,4R)-2,3,4,5-tetrahydroxy-1-morpholin-4-ylpentan-1-one
PubChem CID140500778
Molecular FormulaC9H17NO6
Molecular Weight235.24 g/mol
Exact Mass235.11
IUPAC Name(2R,3R,4R)-2,3,4,5-tetrahydroxy-1-morpholin-4-ylpentan-1-one
SMILESO=C([C@H](O)[C@H](O)[C@H](O)CO)N1CCOCC1
InChIInChI=1S/C9H17NO6/c11-5-6(12)7(13)8(14)9(15)10-1-3-16-4-2-10/h6-8,11-14H,1-5H2/t6-,7-,8-/m1/s1
InChIKeyNCYXPKWAIVBYQT-BWZBUEFSSA-N
XLogP-3.08
TPSA110.46 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.24
LogP ≤ 5-3.08
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2R,3R,4R)-2,3,4,5-tetrahydroxy-1-morpholin-4-ylpentan-1-one?
The IUPAC name of (2R,3R,4R)-2,3,4,5-tetrahydroxy-1-morpholin-4-ylpentan-1-one (CID 140500778) is (2R,3R,4R)-2,3,4,5-tetrahydroxy-1-morpholin-4-ylpentan-1-one.
What is the SMILES notation for (2R,3R,4R)-2,3,4,5-tetrahydroxy-1-morpholin-4-ylpentan-1-one?
The canonical SMILES for (2R,3R,4R)-2,3,4,5-tetrahydroxy-1-morpholin-4-ylpentan-1-one is O=C([C@H](O)[C@H](O)[C@H](O)CO)N1CCOCC1.
What is the InChIKey of (2R,3R,4R)-2,3,4,5-tetrahydroxy-1-morpholin-4-ylpentan-1-one?
The InChIKey is NCYXPKWAIVBYQT-BWZBUEFSSA-N. The full InChI is InChI=1S/C9H17NO6/c11-5-6(12)7(13)8(14)9(15)10-1-3-16-4-2-10/h6-8,11-14H,1-5H2/t6-,7-,8-/m1/s1.
What are the key properties of (2R,3R,4R)-2,3,4,5-tetrahydroxy-1-morpholin-4-ylpentan-1-one?
(2R,3R,4R)-2,3,4,5-tetrahydroxy-1-morpholin-4-ylpentan-1-one has a molecular weight of 235.24 g/mol, XLogP of -3.08, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4R)-2,3,4,5-tetrahydroxy-1-morpholin-4-ylpentan-1-one is sourced from PubChem (CID 140500778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).