(2R,3S,4R,5R)-1-morpholin-4-ylhexane-1,2,3,4,5,6-hexol

C10H21NO7 — CID 143656346

IUPAC(2R,3S,4R,5R)-1-morpholin-4-ylhexane-1,2,3,4,5,6-hexol
SMILESOC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C(O)N1CCOCC1
InChIInChI=1S/C10H21NO7/c12-5-6(13)7(14)8(15)9(16)10(17)11-1-3-18-4-2-11/h6-10,12-17H,1-5H2/t6-,7-,8+,9-,10?/m1/s1
InChIKeyXZJKXRBZPBZCGN-ZKZCYXTQSA-N
MW267.28 g/mol
LogP-3.93
Rot. Bonds6

About (2R,3S,4R,5R)-1-morpholin-4-ylhexane-1,2,3,4,5,6-hexol

(2R,3S,4R,5R)-1-morpholin-4-ylhexane-1,2,3,4,5,6-hexol (PubChem CID 143656346) has the molecular formula C10H21NO7 and a molecular weight of 267.28 g/mol. Its IUPAC name is (2R,3S,4R,5R)-1-morpholin-4-ylhexane-1,2,3,4,5,6-hexol.

Molecular Properties

Compound Name(2R,3S,4R,5R)-1-morpholin-4-ylhexane-1,2,3,4,5,6-hexol
PubChem CID143656346
Molecular FormulaC10H21NO7
Molecular Weight267.28 g/mol
Exact Mass267.13
IUPAC Name(2R,3S,4R,5R)-1-morpholin-4-ylhexane-1,2,3,4,5,6-hexol
SMILESOC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C(O)N1CCOCC1
InChIInChI=1S/C10H21NO7/c12-5-6(13)7(14)8(15)9(16)10(17)11-1-3-18-4-2-11/h6-10,12-17H,1-5H2/t6-,7-,8+,9-,10?/m1/s1
InChIKeyXZJKXRBZPBZCGN-ZKZCYXTQSA-N
XLogP-3.93
TPSA133.85 Ų
H-Bond Donors6
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500267.28
LogP ≤ 5-3.93
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 108

Analyze (2R,3S,4R,5R)-1-morpholin-4-ylhexane-1,2,3,4,5,6-hexol with MolForge

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Related Compounds

heptane-1,2,3,4,5,6,7-heptol;hydrochloride
CID 126649386
ethane;2-morpholin-4-ylpropan-1-ol
CID 142923575
CID 158428296
CID 158428296
(2R,3R,4R,5S)-hexane-1,2,3,4,5,6-hexol;iron
CID 173421469
(2R,3R,4R,5R)-hexane-1,2,3,4,5,6-hexol;methane
CID 155195650
hexane-1,2,3,4,5,6-hexol;2-methyloxirane;oxirane
CID 174373260
hexane-1,1,2,3,4,5,6-heptol
CID 20721397
lithium;(2R,3R,4R,5S)-hexane-1,2,3,4,5,6-hexol;hydride
CID 173340002
(2S,4S)-pentane-1,2,3,4,5-pentol
CID 139064085
2-ethoxy-2-morpholin-4-ylethanol
CID 155797423
(2S)-3-morpholin-4-ylpropane-1,2-diol
CID 1268043
calcium;hexane-1,2,3,4,5,6-hexol;dichloride;dihydrate
CID 175024870

Frequently Asked Questions

What is the IUPAC name of (2R,3S,4R,5R)-1-morpholin-4-ylhexane-1,2,3,4,5,6-hexol?
The IUPAC name of (2R,3S,4R,5R)-1-morpholin-4-ylhexane-1,2,3,4,5,6-hexol (CID 143656346) is (2R,3S,4R,5R)-1-morpholin-4-ylhexane-1,2,3,4,5,6-hexol.
What is the SMILES notation for (2R,3S,4R,5R)-1-morpholin-4-ylhexane-1,2,3,4,5,6-hexol?
The canonical SMILES for (2R,3S,4R,5R)-1-morpholin-4-ylhexane-1,2,3,4,5,6-hexol is OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C(O)N1CCOCC1.
What is the InChIKey of (2R,3S,4R,5R)-1-morpholin-4-ylhexane-1,2,3,4,5,6-hexol?
The InChIKey is XZJKXRBZPBZCGN-ZKZCYXTQSA-N. The full InChI is InChI=1S/C10H21NO7/c12-5-6(13)7(14)8(15)9(16)10(17)11-1-3-18-4-2-11/h6-10,12-17H,1-5H2/t6-,7-,8+,9-,10?/m1/s1.
What are the key properties of (2R,3S,4R,5R)-1-morpholin-4-ylhexane-1,2,3,4,5,6-hexol?
(2R,3S,4R,5R)-1-morpholin-4-ylhexane-1,2,3,4,5,6-hexol has a molecular weight of 267.28 g/mol, XLogP of -3.93, 6 rotatable bonds, 6 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4R,5R)-1-morpholin-4-ylhexane-1,2,3,4,5,6-hexol is sourced from PubChem (CID 143656346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).