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

C10H19NO7 — CID 175537882

IUPAC[(3R,4R,5S,6R)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl] 3-methoxypropanoate
SMILESCOCCC(=O)OC1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1N
InChIInChI=1S/C10H19NO7/c1-16-3-2-6(13)18-10-7(11)9(15)8(14)5(4-12)17-10/h5,7-10,12,14-15H,2-4,11H2,1H3/t5-,7-,8-,9-,10?/m1/s1
InChIKeyNQIHIHYKFPFPED-MEVVYUPBSA-N
MW265.26 g/mol
LogP-2.67
Rot. Bonds5

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

[(3R,4R,5S,6R)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl] 3-methoxypropanoate (PubChem CID 175537882) has the molecular formula C10H19NO7 and a molecular weight of 265.26 g/mol. Its IUPAC name is [(3R,4R,5S,6R)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl] 3-methoxypropanoate.

Molecular Properties

Compound Name[(3R,4R,5S,6R)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl] 3-methoxypropanoate
PubChem CID175537882
Molecular FormulaC10H19NO7
Molecular Weight265.26 g/mol
Exact Mass265.12
IUPAC Name[(3R,4R,5S,6R)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl] 3-methoxypropanoate
SMILESCOCCC(=O)OC1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1N
InChIInChI=1S/C10H19NO7/c1-16-3-2-6(13)18-10-7(11)9(15)8(14)5(4-12)17-10/h5,7-10,12,14-15H,2-4,11H2,1H3/t5-,7-,8-,9-,10?/m1/s1
InChIKeyNQIHIHYKFPFPED-MEVVYUPBSA-N
XLogP-2.67
TPSA131.47 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.26
LogP ≤ 5-2.67
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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

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Related Compounds

(2R,3S,4S,5S,6R)-5-amino-2-(hydroxymethyl)-6-methoxyoxane-3,4-diol
CID 54346230
(2R,3R,4R,5R)-5-amino-2-(hydroxymethyl)-6-methoxyoxane-3,4-diol
CID 13135344
[(3R,4R,5S,6R)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl] acetate;(3R,4R,5S,6R)-3-amino-6-(hydroxymethyl)oxane-2,4,5-triol
CID 174812215
(2S,3R,4S,5R,6R)-2-[(2R,3S,4R,5S,6R)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 67874943
2-methoxyethyl [(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] carbonate
CID 70023537
(2R,3S,4R,5R,6S)-5-amino-6-[(2S,3R,4R,5S,6R)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-(hydroxymethyl)oxane-3,4-diol;(2R,3R,4S,5R)-2-(hydroxymethyl)-6-sulfanyloxane-3,4,5-triol
CID 118356528
[(3R,4R,5S,6R)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl] acetate;2-hydroxypropanoic acid
CID 174924869
[(2R,3S,6R)-2-[(2S,4R,5R)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4,5,6-tetrahydroxycyclohexyl] hexadecanoate
CID 59435884
[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] 4-hydroxybutanoate
CID 91004756
[(3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] hexanoate
CID 164608558
methyl 3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropanoate
CID 77464672
bis[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] propanedioate
CID 22859874

Frequently Asked Questions

What is the IUPAC name of [(3R,4R,5S,6R)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl] 3-methoxypropanoate?
The IUPAC name of [(3R,4R,5S,6R)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl] 3-methoxypropanoate (CID 175537882) is [(3R,4R,5S,6R)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl] 3-methoxypropanoate.
What is the SMILES notation for [(3R,4R,5S,6R)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl] 3-methoxypropanoate?
The canonical SMILES for [(3R,4R,5S,6R)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl] 3-methoxypropanoate is COCCC(=O)OC1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1N.
What is the InChIKey of [(3R,4R,5S,6R)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl] 3-methoxypropanoate?
The InChIKey is NQIHIHYKFPFPED-MEVVYUPBSA-N. The full InChI is InChI=1S/C10H19NO7/c1-16-3-2-6(13)18-10-7(11)9(15)8(14)5(4-12)17-10/h5,7-10,12,14-15H,2-4,11H2,1H3/t5-,7-,8-,9-,10?/m1/s1.
What are the key properties of [(3R,4R,5S,6R)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl] 3-methoxypropanoate?
[(3R,4R,5S,6R)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl] 3-methoxypropanoate has a molecular weight of 265.26 g/mol, XLogP of -2.67, 5 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,4R,5S,6R)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl] 3-methoxypropanoate is sourced from PubChem (CID 175537882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).