(2R,3S,4R,5R)-3,5-dihydroxy-1-morpholin-4-yl-2,4,6-tris(phenylmethoxy)hexan-1-one

C31H37NO7 — CID 139366264

IUPAC(2R,3S,4R,5R)-3,5-dihydroxy-1-morpholin-4-yl-2,4,6-tris(phenylmethoxy)hexan-1-one
SMILESO=C([C@H](OCc1ccccc1)[C@@H](O)[C@H](OCc1ccccc1)[C@H](O)COCc1ccccc1)N1CCOCC1
InChIInChI=1S/C31H37NO7/c33-27(23-37-20-24-10-4-1-5-11-24)29(38-21-25-12-6-2-7-13-25)28(34)30(31(35)32-16-18-36-19-17-32)39-22-26-14-8-3-9-15-26/h1-15,27-30,33-34H,16-23H2/t27-,28+,29-,30-/m1/s1
InChIKeyNXFGUVWTHWLHLG-GOGZTAQTSA-N
MW535.64 g/mol
LogP2.95
Rot. Bonds14

About (2R,3S,4R,5R)-3,5-dihydroxy-1-morpholin-4-yl-2,4,6-tris(phenylmethoxy)hexan-1-one

(2R,3S,4R,5R)-3,5-dihydroxy-1-morpholin-4-yl-2,4,6-tris(phenylmethoxy)hexan-1-one (PubChem CID 139366264) has the molecular formula C31H37NO7 and a molecular weight of 535.64 g/mol. Its IUPAC name is (2R,3S,4R,5R)-3,5-dihydroxy-1-morpholin-4-yl-2,4,6-tris(phenylmethoxy)hexan-1-one.

Molecular Properties

Compound Name(2R,3S,4R,5R)-3,5-dihydroxy-1-morpholin-4-yl-2,4,6-tris(phenylmethoxy)hexan-1-one
PubChem CID139366264
Molecular FormulaC31H37NO7
Molecular Weight535.64 g/mol
Exact Mass535.26
IUPAC Name(2R,3S,4R,5R)-3,5-dihydroxy-1-morpholin-4-yl-2,4,6-tris(phenylmethoxy)hexan-1-one
SMILESO=C([C@H](OCc1ccccc1)[C@@H](O)[C@H](OCc1ccccc1)[C@H](O)COCc1ccccc1)N1CCOCC1
InChIInChI=1S/C31H37NO7/c33-27(23-37-20-24-10-4-1-5-11-24)29(38-21-25-12-6-2-7-13-25)28(34)30(31(35)32-16-18-36-19-17-32)39-22-26-14-8-3-9-15-26/h1-15,27-30,33-34H,16-23H2/t27-,28+,29-,30-/m1/s1
InChIKeyNXFGUVWTHWLHLG-GOGZTAQTSA-N
XLogP2.95
TPSA97.69 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds14
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500535.64
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze (2R,3S,4R,5R)-3,5-dihydroxy-1-morpholin-4-yl-2,4,6-tris(phenylmethoxy)hexan-1-one with MolForge

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Related Compounds

(2R,3R,4R,5R)-1,3,4,6-tetrakis(phenylmethoxy)hexane-2,5-diol
CID 15673926
(2R)-1-morpholin-4-yl-2-phenylmethoxypropan-1-one
CID 165346158
(2R,3R,4R)-1,3-bis(phenylmethoxy)pentane-2,4-diol
CID 11067059
(2R,3S,4R,5R)-N-(1,3-dihydroxypropan-2-yl)-5-hydroxy-2,3,4,6-tetrakis(phenylmethoxy)hexanamide
CID 25135765
(2S,3S,4R)-3,5-bis(phenylmethoxy)pentane-1,2,4-triol
CID 101350837
(2R,3S,4S,5R)-5-hydroxy-N-(2-hydroxyethyl)-2,3,4,6-tetrakis(phenylmethoxy)hexanamide
CID 25135652
(2S,3S,4R,5R)-1-(1,3-dithian-2-yl)-2,3,4,6-tetrakis(phenylmethoxy)hexane-1,5-diol
CID 18637750
(2R,3S,4R,5R)-5-hydroxy-N-[(2R)-2-hydroxypropyl]-2,3,4,6-tetrakis(phenylmethoxy)hexanamide
CID 25135653
(2R,3R,4R,5R)-2,5-dihydroxy-3,4,6-tris(phenylmethoxy)hexanal
CID 87261996
benzyl (2R,4S)-2,4-dimethyl-5-oxo-5-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)pentanoate
CID 92846824
(2R,3R,4R,5R)-1,6-bis(phenylmethoxy)hexane-2,3,4,5-tetrol
CID 10713667
(2R,3S,4S)-2,3,4-tris(phenylmethoxy)-1-piperidin-1-ylheptane-1,5-dione
CID 170080971

Frequently Asked Questions

What is the IUPAC name of (2R,3S,4R,5R)-3,5-dihydroxy-1-morpholin-4-yl-2,4,6-tris(phenylmethoxy)hexan-1-one?
The IUPAC name of (2R,3S,4R,5R)-3,5-dihydroxy-1-morpholin-4-yl-2,4,6-tris(phenylmethoxy)hexan-1-one (CID 139366264) is (2R,3S,4R,5R)-3,5-dihydroxy-1-morpholin-4-yl-2,4,6-tris(phenylmethoxy)hexan-1-one.
What is the SMILES notation for (2R,3S,4R,5R)-3,5-dihydroxy-1-morpholin-4-yl-2,4,6-tris(phenylmethoxy)hexan-1-one?
The canonical SMILES for (2R,3S,4R,5R)-3,5-dihydroxy-1-morpholin-4-yl-2,4,6-tris(phenylmethoxy)hexan-1-one is O=C([C@H](OCc1ccccc1)[C@@H](O)[C@H](OCc1ccccc1)[C@H](O)COCc1ccccc1)N1CCOCC1.
What is the InChIKey of (2R,3S,4R,5R)-3,5-dihydroxy-1-morpholin-4-yl-2,4,6-tris(phenylmethoxy)hexan-1-one?
The InChIKey is NXFGUVWTHWLHLG-GOGZTAQTSA-N. The full InChI is InChI=1S/C31H37NO7/c33-27(23-37-20-24-10-4-1-5-11-24)29(38-21-25-12-6-2-7-13-25)28(34)30(31(35)32-16-18-36-19-17-32)39-22-26-14-8-3-9-15-26/h1-15,27-30,33-34H,16-23H2/t27-,28+,29-,30-/m1/s1.
What are the key properties of (2R,3S,4R,5R)-3,5-dihydroxy-1-morpholin-4-yl-2,4,6-tris(phenylmethoxy)hexan-1-one?
(2R,3S,4R,5R)-3,5-dihydroxy-1-morpholin-4-yl-2,4,6-tris(phenylmethoxy)hexan-1-one has a molecular weight of 535.64 g/mol, XLogP of 2.95, 14 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4R,5R)-3,5-dihydroxy-1-morpholin-4-yl-2,4,6-tris(phenylmethoxy)hexan-1-one is sourced from PubChem (CID 139366264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).