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

C14H26N2O10 — CID 164687722

IUPACN-[(3R,4R,5S,6R)-2-[(2R,3R,4R,5S,6R)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
SMILESCC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)OC1(O)[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1N
InChIInChI=1S/C14H26N2O10/c1-4(19)16-12-11(23)9(21)6(3-18)26-14(12,24)13-7(15)10(22)8(20)5(2-17)25-13/h5-13,17-18,20-24H,2-3,15H2,1H3,(H,16,19)/t5-,6-,7-,8-,9-,10-,11+,12-,13-,14?/m1/s1
InChIKeyASBZYZATPIOVKU-WCVGUCBYSA-N
MW382.37 g/mol
LogP-5.90
Rot. Bonds4

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

N-[(3R,4R,5S,6R)-2-[(2R,3R,4R,5S,6R)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide (PubChem CID 164687722) has the molecular formula C14H26N2O10 and a molecular weight of 382.37 g/mol. Its IUPAC name is N-[(3R,4R,5S,6R)-2-[(2R,3R,4R,5S,6R)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide.

Molecular Properties

Compound NameN-[(3R,4R,5S,6R)-2-[(2R,3R,4R,5S,6R)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
PubChem CID164687722
Molecular FormulaC14H26N2O10
Molecular Weight382.37 g/mol
Exact Mass382.16
IUPAC NameN-[(3R,4R,5S,6R)-2-[(2R,3R,4R,5S,6R)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
SMILESCC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)OC1(O)[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1N
InChIInChI=1S/C14H26N2O10/c1-4(19)16-12-11(23)9(21)6(3-18)26-14(12,24)13-7(15)10(22)8(20)5(2-17)25-13/h5-13,17-18,20-24H,2-3,15H2,1H3,(H,16,19)/t5-,6-,7-,8-,9-,10-,11+,12-,13-,14?/m1/s1
InChIKeyASBZYZATPIOVKU-WCVGUCBYSA-N
XLogP-5.90
TPSA215.19 Ų
H-Bond Donors9
H-Bond Acceptors11
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500382.37
LogP ≤ 5-5.90
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1011

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

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Related Compounds

N-[(2R,3R,4R,5S,6R)-2-(2-aminoethyl)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
CID 140848374
N-[(3R,4R,5S,6R)-2-(2-aminoethyl)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
CID 140570707
N-[(3R,4R,5S,6R)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]acetamide;phosphoric acid
CID 175895258
(2S,3R,4R,5R,6S)-6-(hydroxymethyl)-2-[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxane-2,3,4,5-tetrol
CID 173117466
N-[(2R,3R,4R,5S,6R)-4-amino-2,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
CID 154572806
N-[(3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)-2-pentyloxan-3-yl]acetamide
CID 150363808
N-[(2R,3S,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[(2S,3S,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-methoxyoxan-3-yl]oxan-3-yl]acetamide
CID 57114143
(3R,4R,5S,6R)-3-amino-6-(hydroxymethyl)oxane-2,4,5-triol;sulfuric acid;N-[(3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
CID 174572673
N-[(2R,5R)-4,5-dihydroxy-2,6-bis(hydroxymethyl)oxan-3-yl]acetamide
CID 70799397
N-[2-ethyl-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
CID 20760803
N-[(3R,4R,5R,6R)-2-ethyl-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
CID 138493410
sulfuric acid;N-[(3R,4S,5S,6R)-2,3,4,5-tetrahydroxy-6-(hydroxymethyl)oxan-2-yl]acetamide
CID 141457173

Frequently Asked Questions

What is the IUPAC name of N-[(3R,4R,5S,6R)-2-[(2R,3R,4R,5S,6R)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide?
The IUPAC name of N-[(3R,4R,5S,6R)-2-[(2R,3R,4R,5S,6R)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide (CID 164687722) is N-[(3R,4R,5S,6R)-2-[(2R,3R,4R,5S,6R)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide.
What is the SMILES notation for N-[(3R,4R,5S,6R)-2-[(2R,3R,4R,5S,6R)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide?
The canonical SMILES for N-[(3R,4R,5S,6R)-2-[(2R,3R,4R,5S,6R)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide is CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)OC1(O)[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1N.
What is the InChIKey of N-[(3R,4R,5S,6R)-2-[(2R,3R,4R,5S,6R)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide?
The InChIKey is ASBZYZATPIOVKU-WCVGUCBYSA-N. The full InChI is InChI=1S/C14H26N2O10/c1-4(19)16-12-11(23)9(21)6(3-18)26-14(12,24)13-7(15)10(22)8(20)5(2-17)25-13/h5-13,17-18,20-24H,2-3,15H2,1H3,(H,16,19)/t5-,6-,7-,8-,9-,10-,11+,12-,13-,14?/m1/s1.
What are the key properties of N-[(3R,4R,5S,6R)-2-[(2R,3R,4R,5S,6R)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide?
N-[(3R,4R,5S,6R)-2-[(2R,3R,4R,5S,6R)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide has a molecular weight of 382.37 g/mol, XLogP of -5.90, 4 rotatable bonds, 9 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4R,5S,6R)-2-[(2R,3R,4R,5S,6R)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide is sourced from PubChem (CID 164687722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).