N-[(3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)(214C)oxan-3-yl]propanamide

C9H17NO6 — CID 10105565

IUPACN-[(3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)(214C)oxan-3-yl]propanamide
SMILESCCC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[14CH]1O
InChIInChI=1S/C9H17NO6/c1-2-5(12)10-6-8(14)7(13)4(3-11)16-9(6)15/h4,6-9,11,13-15H,2-3H2,1H3,(H,10,12)/t4-,6-,7-,8-,9?/m1/s1/i9+2
InChIKeyRTEOJYOKWPEKKN-KYQRTUBFSA-N
MW237.23 g/mol
LogP-2.69
Rot. Bonds3

About N-[(3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)(214C)oxan-3-yl]propanamide

N-[(3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)(214C)oxan-3-yl]propanamide (PubChem CID 10105565) has the molecular formula C9H17NO6 and a molecular weight of 237.23 g/mol. Its IUPAC name is N-[(3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)(214C)oxan-3-yl]propanamide.

Molecular Properties

Compound NameN-[(3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)(214C)oxan-3-yl]propanamide
PubChem CID10105565
Molecular FormulaC9H17NO6
Molecular Weight237.23 g/mol
Exact Mass237.11
IUPAC NameN-[(3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)(214C)oxan-3-yl]propanamide
SMILESCCC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[14CH]1O
InChIInChI=1S/C9H17NO6/c1-2-5(12)10-6-8(14)7(13)4(3-11)16-9(6)15/h4,6-9,11,13-15H,2-3H2,1H3,(H,10,12)/t4-,6-,7-,8-,9?/m1/s1/i9+2
InChIKeyRTEOJYOKWPEKKN-KYQRTUBFSA-N
XLogP-2.69
TPSA119.25 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.23
LogP ≤ 5-2.69
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(4R,5R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]propanamide
CID 122492503
N-[(3S,4R,5R,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]propanamide
CID 11845328
N-[(3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]propanamide;hydrochloride
CID 132775552
N-[(2R,3S,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-isothiocyanatooxan-3-yl]acetamide
CID 124748281
N-[(2S,3S,4R,5S,6S)-4,5-dihydroxy-6-(hydroxymethyl)-2-isothiocyanatooxan-3-yl]acetamide
CID 129368980
2-(ethylamino)-N-[(2R,4R,5S)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
CID 162453639
N-(3,4-dihydroxycyclopentyl)propanamide
CID 170769048
N-[(4R,5R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]butanamide
CID 90352171
N-[(5S)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]butanamide
CID 71235358
N-[(2R,4R,5R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]butanamide
CID 58852887
[[(3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-(propanoylamino)oxan-2-ylidene]amino] N-phenylcarbamate
CID 87761979
N-[(4R,5S)-2,4,5-trihydroxy-6-(hydroxymethyl)thian-3-yl]propanamide
CID 126705030

Frequently Asked Questions

What is the IUPAC name of N-[(3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)(214C)oxan-3-yl]propanamide?
The IUPAC name of N-[(3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)(214C)oxan-3-yl]propanamide (CID 10105565) is N-[(3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)(214C)oxan-3-yl]propanamide.
What is the SMILES notation for N-[(3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)(214C)oxan-3-yl]propanamide?
The canonical SMILES for N-[(3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)(214C)oxan-3-yl]propanamide is CCC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[14CH]1O.
What is the InChIKey of N-[(3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)(214C)oxan-3-yl]propanamide?
The InChIKey is RTEOJYOKWPEKKN-KYQRTUBFSA-N. The full InChI is InChI=1S/C9H17NO6/c1-2-5(12)10-6-8(14)7(13)4(3-11)16-9(6)15/h4,6-9,11,13-15H,2-3H2,1H3,(H,10,12)/t4-,6-,7-,8-,9?/m1/s1/i9+2.
What are the key properties of N-[(3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)(214C)oxan-3-yl]propanamide?
N-[(3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)(214C)oxan-3-yl]propanamide has a molecular weight of 237.23 g/mol, XLogP of -2.69, 3 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)(214C)oxan-3-yl]propanamide is sourced from PubChem (CID 10105565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).