N-[(3R,3aS,5S,6S,6aS)-3,5-dihydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]acetamide

C8H13NO5 — CID 130787844

IUPACN-[(3R,3aS,5S,6S,6aS)-3,5-dihydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]acetamide
SMILESCC(=O)N[C@H]1[C@@H]2OC[C@@H](O)[C@@H]2O[C@@H]1O
InChIInChI=1S/C8H13NO5/c1-3(10)9-5-7-6(14-8(5)12)4(11)2-13-7/h4-8,11-12H,2H2,1H3,(H,9,10)/t4-,5+,6+,7+,8+/m1/s1
InChIKeyVAHGSMNMJYMZLN-LQOSVEJXSA-N
MW203.19 g/mol
LogP-2.03
Rot. Bonds1

About N-[(3R,3aS,5S,6S,6aS)-3,5-dihydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]acetamide

N-[(3R,3aS,5S,6S,6aS)-3,5-dihydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]acetamide (PubChem CID 130787844) has the molecular formula C8H13NO5 and a molecular weight of 203.19 g/mol. Its IUPAC name is N-[(3R,3aS,5S,6S,6aS)-3,5-dihydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]acetamide.

Molecular Properties

Compound NameN-[(3R,3aS,5S,6S,6aS)-3,5-dihydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]acetamide
PubChem CID130787844
Molecular FormulaC8H13NO5
Molecular Weight203.19 g/mol
Exact Mass203.08
IUPAC NameN-[(3R,3aS,5S,6S,6aS)-3,5-dihydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]acetamide
SMILESCC(=O)N[C@H]1[C@@H]2OC[C@@H](O)[C@@H]2O[C@@H]1O
InChIInChI=1S/C8H13NO5/c1-3(10)9-5-7-6(14-8(5)12)4(11)2-13-7/h4-8,11-12H,2H2,1H3,(H,9,10)/t4-,5+,6+,7+,8+/m1/s1
InChIKeyVAHGSMNMJYMZLN-LQOSVEJXSA-N
XLogP-2.03
TPSA88.02 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.19
LogP ≤ 5-2.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-[(3R,3aS,5S,6S,6aS)-3,5-dihydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]acetamide with MolForge

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Related Compounds

N-[(2R,3S)-2,4-dihydroxy-6-methyloxan-3-yl]acetamide
CID 174146683
N-[(2R)-2,4-dihydroxy-6-methyloxan-3-yl]acetamide
CID 174146689
1-(4,7-dihydroxy-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-2-yl)ethanone
CID 171620802
N-[(2R,3R,4R,5R)-3,4,5-trihydroxyoxan-2-yl]acetamide
CID 102599934
N-[(3R,4R,6S)-2,4-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
CID 14865842
N-[(2R,3S,4S,6S)-2,4-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
CID 129406201
N-(3,4-dihydroxy-7-oxabicyclo[4.1.0]heptan-2-yl)acetamide
CID 58948074
N-[(1R,2S,3R,4R,5R)-2,3-dihydroxy-6,8-dioxabicyclo[3.2.1]octan-4-yl]acetamide
CID 14308166
N-[(2R,3S,4R,5R)-5-fluoro-2,4-dihydroxyoxan-3-yl]acetamide
CID 122207300
N-[(2S,3R,4S,5R,6S)-5-acetamido-4,6-dihydroxy-2-methyloxan-3-yl]acetamide
CID 56927717
N-[(2S,3S,4R,5R,6R)-2,4,5-trihydroxy-6-methyloxan-3-yl]acetamide
CID 156616201
N-[(2S,4aR,6S,7R,8R,8aS)-6,8-dihydroxy-2-(4-methoxyphenyl)-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]acetamide
CID 11896041

Frequently Asked Questions

What is the IUPAC name of N-[(3R,3aS,5S,6S,6aS)-3,5-dihydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]acetamide?
The IUPAC name of N-[(3R,3aS,5S,6S,6aS)-3,5-dihydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]acetamide (CID 130787844) is N-[(3R,3aS,5S,6S,6aS)-3,5-dihydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]acetamide.
What is the SMILES notation for N-[(3R,3aS,5S,6S,6aS)-3,5-dihydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]acetamide?
The canonical SMILES for N-[(3R,3aS,5S,6S,6aS)-3,5-dihydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]acetamide is CC(=O)N[C@H]1[C@@H]2OC[C@@H](O)[C@@H]2O[C@@H]1O.
What is the InChIKey of N-[(3R,3aS,5S,6S,6aS)-3,5-dihydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]acetamide?
The InChIKey is VAHGSMNMJYMZLN-LQOSVEJXSA-N. The full InChI is InChI=1S/C8H13NO5/c1-3(10)9-5-7-6(14-8(5)12)4(11)2-13-7/h4-8,11-12H,2H2,1H3,(H,9,10)/t4-,5+,6+,7+,8+/m1/s1.
What are the key properties of N-[(3R,3aS,5S,6S,6aS)-3,5-dihydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]acetamide?
N-[(3R,3aS,5S,6S,6aS)-3,5-dihydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]acetamide has a molecular weight of 203.19 g/mol, XLogP of -2.03, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,3aS,5S,6S,6aS)-3,5-dihydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]acetamide is sourced from PubChem (CID 130787844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).