(3S,4S,5R)-1-(dibenzylamino)-3,4,5,6-tetrahydroxyhexan-2-one

C20H25NO5 — CID 69408195

IUPAC(3S,4S,5R)-1-(dibenzylamino)-3,4,5,6-tetrahydroxyhexan-2-one
SMILESO=C(CN(Cc1ccccc1)Cc1ccccc1)[C@@H](O)[C@@H](O)[C@H](O)CO
InChIInChI=1S/C20H25NO5/c22-14-18(24)20(26)19(25)17(23)13-21(11-15-7-3-1-4-8-15)12-16-9-5-2-6-10-16/h1-10,18-20,22,24-26H,11-14H2/t18-,19-,20+/m1/s1
InChIKeyUBEAYAXTJWERHS-AQNXPRMDSA-N
MW359.42 g/mol
LogP0.33
Rot. Bonds10

About (3S,4S,5R)-1-(dibenzylamino)-3,4,5,6-tetrahydroxyhexan-2-one

(3S,4S,5R)-1-(dibenzylamino)-3,4,5,6-tetrahydroxyhexan-2-one (PubChem CID 69408195) has the molecular formula C20H25NO5 and a molecular weight of 359.42 g/mol. Its IUPAC name is (3S,4S,5R)-1-(dibenzylamino)-3,4,5,6-tetrahydroxyhexan-2-one.

Molecular Properties

Compound Name(3S,4S,5R)-1-(dibenzylamino)-3,4,5,6-tetrahydroxyhexan-2-one
PubChem CID69408195
Molecular FormulaC20H25NO5
Molecular Weight359.42 g/mol
Exact Mass359.17
IUPAC Name(3S,4S,5R)-1-(dibenzylamino)-3,4,5,6-tetrahydroxyhexan-2-one
SMILESO=C(CN(Cc1ccccc1)Cc1ccccc1)[C@@H](O)[C@@H](O)[C@H](O)CO
InChIInChI=1S/C20H25NO5/c22-14-18(24)20(26)19(25)17(23)13-21(11-15-7-3-1-4-8-15)12-16-9-5-2-6-10-16/h1-10,18-20,22,24-26H,11-14H2/t18-,19-,20+/m1/s1
InChIKeyUBEAYAXTJWERHS-AQNXPRMDSA-N
XLogP0.33
TPSA101.23 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.42
LogP ≤ 50.33
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (3S,4S,5R)-1-(dibenzylamino)-3,4,5,6-tetrahydroxyhexan-2-one?
The IUPAC name of (3S,4S,5R)-1-(dibenzylamino)-3,4,5,6-tetrahydroxyhexan-2-one (CID 69408195) is (3S,4S,5R)-1-(dibenzylamino)-3,4,5,6-tetrahydroxyhexan-2-one.
What is the SMILES notation for (3S,4S,5R)-1-(dibenzylamino)-3,4,5,6-tetrahydroxyhexan-2-one?
The canonical SMILES for (3S,4S,5R)-1-(dibenzylamino)-3,4,5,6-tetrahydroxyhexan-2-one is O=C(CN(Cc1ccccc1)Cc1ccccc1)[C@@H](O)[C@@H](O)[C@H](O)CO.
What is the InChIKey of (3S,4S,5R)-1-(dibenzylamino)-3,4,5,6-tetrahydroxyhexan-2-one?
The InChIKey is UBEAYAXTJWERHS-AQNXPRMDSA-N. The full InChI is InChI=1S/C20H25NO5/c22-14-18(24)20(26)19(25)17(23)13-21(11-15-7-3-1-4-8-15)12-16-9-5-2-6-10-16/h1-10,18-20,22,24-26H,11-14H2/t18-,19-,20+/m1/s1.
What are the key properties of (3S,4S,5R)-1-(dibenzylamino)-3,4,5,6-tetrahydroxyhexan-2-one?
(3S,4S,5R)-1-(dibenzylamino)-3,4,5,6-tetrahydroxyhexan-2-one has a molecular weight of 359.42 g/mol, XLogP of 0.33, 10 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S,5R)-1-(dibenzylamino)-3,4,5,6-tetrahydroxyhexan-2-one is sourced from PubChem (CID 69408195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).