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

C15H21NO7 — CID 58718672

IUPAC2-phenylmethoxy-N-[(3R,5R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
SMILESO=C(COCc1ccccc1)N[C@H]1C(O)OC(CO)[C@H](O)C1O
InChIInChI=1S/C15H21NO7/c17-6-10-13(19)14(20)12(15(21)23-10)16-11(18)8-22-7-9-4-2-1-3-5-9/h1-5,10,12-15,17,19-21H,6-8H2,(H,16,18)/t10?,12-,13+,14?,15?/m1/s1
InChIKeyZTDKVQIYPZMDQC-VEHLFMSMSA-N
MW327.33 g/mol
LogP-1.88
Rot. Bonds6

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

2-phenylmethoxy-N-[(3R,5R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide (PubChem CID 58718672) has the molecular formula C15H21NO7 and a molecular weight of 327.33 g/mol. Its IUPAC name is 2-phenylmethoxy-N-[(3R,5R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide.

Molecular Properties

Compound Name2-phenylmethoxy-N-[(3R,5R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
PubChem CID58718672
Molecular FormulaC15H21NO7
Molecular Weight327.33 g/mol
Exact Mass327.13
IUPAC Name2-phenylmethoxy-N-[(3R,5R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
SMILESO=C(COCc1ccccc1)N[C@H]1C(O)OC(CO)[C@H](O)C1O
InChIInChI=1S/C15H21NO7/c17-6-10-13(19)14(20)12(15(21)23-10)16-11(18)8-22-7-9-4-2-1-3-5-9/h1-5,10,12-15,17,19-21H,6-8H2,(H,16,18)/t10?,12-,13+,14?,15?/m1/s1
InChIKeyZTDKVQIYPZMDQC-VEHLFMSMSA-N
XLogP-1.88
TPSA128.48 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.33
LogP ≤ 5-1.88
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(2R,3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-methoxyoxan-3-yl]-2-phenylmethoxyacetamide
CID 66559910
(3S)-3-phenylmethoxy-N-[(3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]tetradecanamide
CID 70441816
2-methoxy-N-[(4R,5S)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
CID 90352180
2-methoxy-N-[2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
CID 122524880
[[(3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]amino] 2-phenylacetate
CID 131864914
(3R,4R,5R,6R)-3-(benzylamino)-6-(hydroxymethyl)oxane-2,4,5-triol
CID 11565251
[4-oxo-4-[[(3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]amino]butyl]-triphenylphosphanium
CID 101349422
N-[(2R,3S,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-phenylmethoxyoxan-3-yl]acetamide
CID 11888392
N-[(4S,5S)-4,5-dihydroxy-6-(hydroxymethyl)-2-phenylmethoxyoxan-3-yl]acetamide
CID 172641817
N-[(2S,3R,4R,5S,6S)-4,5-dihydroxy-6-(hydroxymethyl)-2-phenylmethoxyoxan-3-yl]acetamide
CID 11870400
N-[(2R,3R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-phenylmethoxyoxan-3-yl]acetamide
CID 6540868
methylidyne-[[3-[2-oxo-2-[[(3S,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]amino]ethyl]phenyl]methyl]azanium
CID 171417908

Frequently Asked Questions

What is the IUPAC name of 2-phenylmethoxy-N-[(3R,5R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide?
The IUPAC name of 2-phenylmethoxy-N-[(3R,5R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide (CID 58718672) is 2-phenylmethoxy-N-[(3R,5R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide.
What is the SMILES notation for 2-phenylmethoxy-N-[(3R,5R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide?
The canonical SMILES for 2-phenylmethoxy-N-[(3R,5R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide is O=C(COCc1ccccc1)N[C@H]1C(O)OC(CO)[C@H](O)C1O.
What is the InChIKey of 2-phenylmethoxy-N-[(3R,5R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide?
The InChIKey is ZTDKVQIYPZMDQC-VEHLFMSMSA-N. The full InChI is InChI=1S/C15H21NO7/c17-6-10-13(19)14(20)12(15(21)23-10)16-11(18)8-22-7-9-4-2-1-3-5-9/h1-5,10,12-15,17,19-21H,6-8H2,(H,16,18)/t10?,12-,13+,14?,15?/m1/s1.
What are the key properties of 2-phenylmethoxy-N-[(3R,5R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide?
2-phenylmethoxy-N-[(3R,5R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide has a molecular weight of 327.33 g/mol, XLogP of -1.88, 6 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenylmethoxy-N-[(3R,5R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide is sourced from PubChem (CID 58718672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).