(2R,3S,4R,5R)-3,4,5,6-tetrahydroxy-2-propoxyhexanamide

C9H19NO6 — CID 89427404

IUPAC(2R,3S,4R,5R)-3,4,5,6-tetrahydroxy-2-propoxyhexanamide
SMILESCCCO[C@@H](C(N)=O)[C@@H](O)[C@H](O)[C@H](O)CO
InChIInChI=1S/C9H19NO6/c1-2-3-16-8(9(10)15)7(14)6(13)5(12)4-11/h5-8,11-14H,2-4H2,1H3,(H2,10,15)/t5-,6-,7+,8-/m1/s1
InChIKeyGDMMHCFVCXAHDI-OOJXKGFFSA-N
MW237.25 g/mol
LogP-2.66
Rot. Bonds8

About (2R,3S,4R,5R)-3,4,5,6-tetrahydroxy-2-propoxyhexanamide

(2R,3S,4R,5R)-3,4,5,6-tetrahydroxy-2-propoxyhexanamide (PubChem CID 89427404) has the molecular formula C9H19NO6 and a molecular weight of 237.25 g/mol. Its IUPAC name is (2R,3S,4R,5R)-3,4,5,6-tetrahydroxy-2-propoxyhexanamide.

Molecular Properties

Compound Name(2R,3S,4R,5R)-3,4,5,6-tetrahydroxy-2-propoxyhexanamide
PubChem CID89427404
Molecular FormulaC9H19NO6
Molecular Weight237.25 g/mol
Exact Mass237.12
IUPAC Name(2R,3S,4R,5R)-3,4,5,6-tetrahydroxy-2-propoxyhexanamide
SMILESCCCO[C@@H](C(N)=O)[C@@H](O)[C@H](O)[C@H](O)CO
InChIInChI=1S/C9H19NO6/c1-2-3-16-8(9(10)15)7(14)6(13)5(12)4-11/h5-8,11-14H,2-4H2,1H3,(H2,10,15)/t5-,6-,7+,8-/m1/s1
InChIKeyGDMMHCFVCXAHDI-OOJXKGFFSA-N
XLogP-2.66
TPSA133.24 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.25
LogP ≤ 5-2.66
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

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Related Compounds

(2R,3S,4R,5R)-3,4,5,6-tetrahydroxy-2-(1-triethoxysilylpropoxy)hexanamide
CID 89106813
ethyl (2R,3S,4R,5R)-2-acetyloxy-3,4,5,6-tetrahydroxyhexanoate
CID 118665846
ethyl (2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexanoate
CID 54218813
ethyl (2S,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoate
CID 54218815
ethyl (2R,3R,4R,5S,6R)-2,3,4,5,6,7-hexahydroxyheptanoate
CID 54186591
1-propoxypropane-1,2,3-triol
CID 19757638
3-hexoxy-4,5-dihydroxypentan-2-one
CID 175582035
2,3-bis[(2-ethoxy-3,4,5,6-tetrahydroxyhexanoyl)oxy]propyl 2-ethoxy-3,4,5,6-tetrahydroxyhexanoate
CID 23018394
(2R,3S,4S,5R)-2-(2-aminobutanoyloxy)-3,4,5,6-tetrahydroxyhexanoic acid
CID 87662117
1,2-dihydroxy-3-pentoxypentadecan-4-one
CID 174734107
butanoic acid;(2R,3R,4R,5R)-hexane-1,2,3,4,5,6-hexol
CID 122613100
2-(1-aminoethoxy)-3,4,5,6-tetrahydroxyhexanoic acid
CID 87421563

Frequently Asked Questions

What is the IUPAC name of (2R,3S,4R,5R)-3,4,5,6-tetrahydroxy-2-propoxyhexanamide?
The IUPAC name of (2R,3S,4R,5R)-3,4,5,6-tetrahydroxy-2-propoxyhexanamide (CID 89427404) is (2R,3S,4R,5R)-3,4,5,6-tetrahydroxy-2-propoxyhexanamide.
What is the SMILES notation for (2R,3S,4R,5R)-3,4,5,6-tetrahydroxy-2-propoxyhexanamide?
The canonical SMILES for (2R,3S,4R,5R)-3,4,5,6-tetrahydroxy-2-propoxyhexanamide is CCCO[C@@H](C(N)=O)[C@@H](O)[C@H](O)[C@H](O)CO.
What is the InChIKey of (2R,3S,4R,5R)-3,4,5,6-tetrahydroxy-2-propoxyhexanamide?
The InChIKey is GDMMHCFVCXAHDI-OOJXKGFFSA-N. The full InChI is InChI=1S/C9H19NO6/c1-2-3-16-8(9(10)15)7(14)6(13)5(12)4-11/h5-8,11-14H,2-4H2,1H3,(H2,10,15)/t5-,6-,7+,8-/m1/s1.
What are the key properties of (2R,3S,4R,5R)-3,4,5,6-tetrahydroxy-2-propoxyhexanamide?
(2R,3S,4R,5R)-3,4,5,6-tetrahydroxy-2-propoxyhexanamide has a molecular weight of 237.25 g/mol, XLogP of -2.66, 8 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4R,5R)-3,4,5,6-tetrahydroxy-2-propoxyhexanamide is sourced from PubChem (CID 89427404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).