N-acetyl-N-[(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxy-1-oxohexan-2-yl]acetamide

C10H17NO8 — CID 141249710

IUPACN-acetyl-N-[(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxy-1-oxohexan-2-yl]acetamide
SMILESCC(=O)N(C(C)=O)[C@](O)(C=O)[C@@H](O)[C@H](O)[C@H](O)CO
InChIInChI=1S/C10H17NO8/c1-5(14)11(6(2)15)10(19,4-13)9(18)8(17)7(16)3-12/h4,7-9,12,16-19H,3H2,1-2H3/t7-,8-,9+,10+/m1/s1
InChIKeyIHOAJZXSLWNNDY-IMSYWVGJSA-N
MW279.25 g/mol
LogP-3.66
Rot. Bonds6

About N-acetyl-N-[(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxy-1-oxohexan-2-yl]acetamide

N-acetyl-N-[(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxy-1-oxohexan-2-yl]acetamide (PubChem CID 141249710) has the molecular formula C10H17NO8 and a molecular weight of 279.25 g/mol. Its IUPAC name is N-acetyl-N-[(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxy-1-oxohexan-2-yl]acetamide.

Molecular Properties

Compound NameN-acetyl-N-[(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxy-1-oxohexan-2-yl]acetamide
PubChem CID141249710
Molecular FormulaC10H17NO8
Molecular Weight279.25 g/mol
Exact Mass279.10
IUPAC NameN-acetyl-N-[(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxy-1-oxohexan-2-yl]acetamide
SMILESCC(=O)N(C(C)=O)[C@](O)(C=O)[C@@H](O)[C@H](O)[C@H](O)CO
InChIInChI=1S/C10H17NO8/c1-5(14)11(6(2)15)10(19,4-13)9(18)8(17)7(16)3-12/h4,7-9,12,16-19H,3H2,1-2H3/t7-,8-,9+,10+/m1/s1
InChIKeyIHOAJZXSLWNNDY-IMSYWVGJSA-N
XLogP-3.66
TPSA155.60 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.25
LogP ≤ 5-3.66
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze N-acetyl-N-[(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxy-1-oxohexan-2-yl]acetamide with MolForge

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Related Compounds

(2S,3R,4S,5R)-2-acetyl-2-amino-3,4,5,6-tetrahydroxyhexanal
CID 174573561
(2S)-2-amino-2,3,4,5,6-pentahydroxyhexanal
CID 135374199
(2S,3R,4R)-2-acetyl-2,3,4,5-tetrahydroxypentanal
CID 20638965
N-[(2S,3R,4S)-2-amino-3,4,5,6-tetrahydroxy-1-oxohexan-2-yl]acetamide
CID 146680965
(3R,4S,5R,6R)-3-formyl-3,4,5,6,7-pentahydroxyheptanoic acid
CID 172715343
(4R,5S,6S,7R)-4,5,6,7,8-pentahydroxy-2-methyl-4-propan-2-yloctan-3-one
CID 54303416
(5R,6S,7R)-4,4-diamino-5,6,7,8-tetrahydroxyoctane-2,3-dione
CID 87427473
(4R,5S,6R,7R)-4,5,6,7,8-pentahydroxy-4-nitrooctane-2,3-dione
CID 175771280
2-hydroxy-2-[(1S,2R,3R)-1,2,3,4-tetrahydroxybutyl]propanedioic acid
CID 22856678
(2R,3R,4R)-2,3,4,5-tetrahydroxy-2-methylpentanal
CID 18341048
(2R,3R,4S,5R)-2-acetamido-2,3,4,5,6-pentahydroxyhexanoic acid
CID 89051494
(2S,3S,4R,5R)-2-but-2-en-2-ylhexane-1,2,3,4,5,6-hexol
CID 87557988

Frequently Asked Questions

What is the IUPAC name of N-acetyl-N-[(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxy-1-oxohexan-2-yl]acetamide?
The IUPAC name of N-acetyl-N-[(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxy-1-oxohexan-2-yl]acetamide (CID 141249710) is N-acetyl-N-[(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxy-1-oxohexan-2-yl]acetamide.
What is the SMILES notation for N-acetyl-N-[(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxy-1-oxohexan-2-yl]acetamide?
The canonical SMILES for N-acetyl-N-[(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxy-1-oxohexan-2-yl]acetamide is CC(=O)N(C(C)=O)[C@](O)(C=O)[C@@H](O)[C@H](O)[C@H](O)CO.
What is the InChIKey of N-acetyl-N-[(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxy-1-oxohexan-2-yl]acetamide?
The InChIKey is IHOAJZXSLWNNDY-IMSYWVGJSA-N. The full InChI is InChI=1S/C10H17NO8/c1-5(14)11(6(2)15)10(19,4-13)9(18)8(17)7(16)3-12/h4,7-9,12,16-19H,3H2,1-2H3/t7-,8-,9+,10+/m1/s1.
What are the key properties of N-acetyl-N-[(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxy-1-oxohexan-2-yl]acetamide?
N-acetyl-N-[(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxy-1-oxohexan-2-yl]acetamide has a molecular weight of 279.25 g/mol, XLogP of -3.66, 6 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-acetyl-N-[(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxy-1-oxohexan-2-yl]acetamide is sourced from PubChem (CID 141249710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).