N-[(3R,4S,5R,6R)-6-[[(2R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-2,3,4,5-tetrahydroxyoxan-3-yl]acetamide

C14H25NO11 — CID 54228502

IUPACN-[(3R,4S,5R,6R)-6-[[(2R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-2,3,4,5-tetrahydroxyoxan-3-yl]acetamide
SMILESCC(=O)N[C@]1(O)C(O)O[C@H](CO[C@H]2C[C@@H](O)[C@@H](O)[C@@H](CO)O2)[C@H](O)[C@@H]1O
InChIInChI=1S/C14H25NO11/c1-5(17)15-14(23)12(21)11(20)8(26-13(14)22)4-24-9-2-6(18)10(19)7(3-16)25-9/h6-13,16,18-23H,2-4H2,1H3,(H,15,17)/t6-,7-,8-,9-,10-,11+,12+,13?,14-/m1/s1
InChIKeyQHNVYQVNGPNWRK-DVHIAWIRSA-N
MW383.35 g/mol
LogP-4.90
Rot. Bonds5

About N-[(3R,4S,5R,6R)-6-[[(2R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-2,3,4,5-tetrahydroxyoxan-3-yl]acetamide

N-[(3R,4S,5R,6R)-6-[[(2R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-2,3,4,5-tetrahydroxyoxan-3-yl]acetamide (PubChem CID 54228502) has the molecular formula C14H25NO11 and a molecular weight of 383.35 g/mol. Its IUPAC name is N-[(3R,4S,5R,6R)-6-[[(2R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-2,3,4,5-tetrahydroxyoxan-3-yl]acetamide.

Molecular Properties

Compound NameN-[(3R,4S,5R,6R)-6-[[(2R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-2,3,4,5-tetrahydroxyoxan-3-yl]acetamide
PubChem CID54228502
Molecular FormulaC14H25NO11
Molecular Weight383.35 g/mol
Exact Mass383.14
IUPAC NameN-[(3R,4S,5R,6R)-6-[[(2R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-2,3,4,5-tetrahydroxyoxan-3-yl]acetamide
SMILESCC(=O)N[C@]1(O)C(O)O[C@H](CO[C@H]2C[C@@H](O)[C@@H](O)[C@@H](CO)O2)[C@H](O)[C@@H]1O
InChIInChI=1S/C14H25NO11/c1-5(17)15-14(23)12(21)11(20)8(26-13(14)22)4-24-9-2-6(18)10(19)7(3-16)25-9/h6-13,16,18-23H,2-4H2,1H3,(H,15,17)/t6-,7-,8-,9-,10-,11+,12+,13?,14-/m1/s1
InChIKeyQHNVYQVNGPNWRK-DVHIAWIRSA-N
XLogP-4.90
TPSA198.40 Ų
H-Bond Donors8
H-Bond Acceptors11
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500383.35
LogP ≤ 5-4.90
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

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

Analyze N-[(3R,4S,5R,6R)-6-[[(2R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-2,3,4,5-tetrahydroxyoxan-3-yl]acetamide with MolForge

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Related Compounds

N-[(3R,4S,5S,6R)-2,3,4,5-tetrahydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
CID 56606853
N-[(2R,3R,4S,5S,6R)-2,3,4,5-tetrahydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
CID 18659288
[(2R,3S,4S,5R)-5-acetamido-3,4,5,6-tetrahydroxyoxan-2-yl]methyl dihydrogen phosphate
CID 100923877
(2R,3S,4R,6S)-6-[[(2R,3S,4R,6S)-6-[[(2R,3S,4R)-3,4-dihydroxyoxan-2-yl]methoxy]-3,4-dihydroxyoxan-2-yl]methoxy]-2-(hydroxymethyl)oxane-3,4-diol
CID 174151873
[(4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl] acetate
CID 44608559
(3S,4R,5R,6S)-6-(hydroxymethyl)-3-(methylamino)oxane-2,3,4,5-tetrol
CID 176884296
(2R,3S,4R,5S)-2-[[(2S,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxane-3,4,5-triol
CID 170012214
6-[(2R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexan-2-one
CID 178052000
N-[(2R,3R,4S,5R,6R)-4-[(2S,4S,5S,6S)-4,5-dihydroxy-6-methyloxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)-2-methoxyoxan-3-yl]acetamide
CID 67797486
N-[4-[(2S,3R,4S,5S,6R)-3-acetamido-5-[(2S,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-2,2,2-trifluoroacetamide
CID 54176873
2-(hydroxymethyl)-6-propoxyoxane-3,4-diol
CID 154980808
(3S,4S,6R)-2-(hydroxymethyl)-6-methoxyoxane-3,4-diol
CID 58863017

Frequently Asked Questions

What is the IUPAC name of N-[(3R,4S,5R,6R)-6-[[(2R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-2,3,4,5-tetrahydroxyoxan-3-yl]acetamide?
The IUPAC name of N-[(3R,4S,5R,6R)-6-[[(2R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-2,3,4,5-tetrahydroxyoxan-3-yl]acetamide (CID 54228502) is N-[(3R,4S,5R,6R)-6-[[(2R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-2,3,4,5-tetrahydroxyoxan-3-yl]acetamide.
What is the SMILES notation for N-[(3R,4S,5R,6R)-6-[[(2R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-2,3,4,5-tetrahydroxyoxan-3-yl]acetamide?
The canonical SMILES for N-[(3R,4S,5R,6R)-6-[[(2R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-2,3,4,5-tetrahydroxyoxan-3-yl]acetamide is CC(=O)N[C@]1(O)C(O)O[C@H](CO[C@H]2C[C@@H](O)[C@@H](O)[C@@H](CO)O2)[C@H](O)[C@@H]1O.
What is the InChIKey of N-[(3R,4S,5R,6R)-6-[[(2R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-2,3,4,5-tetrahydroxyoxan-3-yl]acetamide?
The InChIKey is QHNVYQVNGPNWRK-DVHIAWIRSA-N. The full InChI is InChI=1S/C14H25NO11/c1-5(17)15-14(23)12(21)11(20)8(26-13(14)22)4-24-9-2-6(18)10(19)7(3-16)25-9/h6-13,16,18-23H,2-4H2,1H3,(H,15,17)/t6-,7-,8-,9-,10-,11+,12+,13?,14-/m1/s1.
What are the key properties of N-[(3R,4S,5R,6R)-6-[[(2R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-2,3,4,5-tetrahydroxyoxan-3-yl]acetamide?
N-[(3R,4S,5R,6R)-6-[[(2R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-2,3,4,5-tetrahydroxyoxan-3-yl]acetamide has a molecular weight of 383.35 g/mol, XLogP of -4.90, 5 rotatable bonds, 8 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4S,5R,6R)-6-[[(2R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-2,3,4,5-tetrahydroxyoxan-3-yl]acetamide is sourced from PubChem (CID 54228502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).