N-[(1S,2R,3S,4R)-2,3,4,5-tetrahydroxy-1-[(2S)-5-oxo-4-phenylmethoxy-2H-furan-2-yl]pentyl]acetamide

C18H23NO8 — CID 23260033

IUPACN-[(1S,2R,3S,4R)-2,3,4,5-tetrahydroxy-1-[(2S)-5-oxo-4-phenylmethoxy-2H-furan-2-yl]pentyl]acetamide
SMILESCC(=O)N[C@@H]([C@@H](O)[C@H](O)[C@H](O)CO)[C@@H]1C=C(OCc2ccccc2)C(=O)O1
InChIInChI=1S/C18H23NO8/c1-10(21)19-15(17(24)16(23)12(22)8-20)13-7-14(18(25)27-13)26-9-11-5-3-2-4-6-11/h2-7,12-13,15-17,20,22-24H,8-9H2,1H3,(H,19,21)/t12-,13+,15-,16-,17-/m1/s1
InChIKeyYAUVCJVMXAAOED-IMPMIVQMSA-N
MW381.38 g/mol
LogP-1.41
Rot. Bonds9

About N-[(1S,2R,3S,4R)-2,3,4,5-tetrahydroxy-1-[(2S)-5-oxo-4-phenylmethoxy-2H-furan-2-yl]pentyl]acetamide

N-[(1S,2R,3S,4R)-2,3,4,5-tetrahydroxy-1-[(2S)-5-oxo-4-phenylmethoxy-2H-furan-2-yl]pentyl]acetamide (PubChem CID 23260033) has the molecular formula C18H23NO8 and a molecular weight of 381.38 g/mol. Its IUPAC name is N-[(1S,2R,3S,4R)-2,3,4,5-tetrahydroxy-1-[(2S)-5-oxo-4-phenylmethoxy-2H-furan-2-yl]pentyl]acetamide.

Molecular Properties

Compound NameN-[(1S,2R,3S,4R)-2,3,4,5-tetrahydroxy-1-[(2S)-5-oxo-4-phenylmethoxy-2H-furan-2-yl]pentyl]acetamide
PubChem CID23260033
Molecular FormulaC18H23NO8
Molecular Weight381.38 g/mol
Exact Mass381.14
IUPAC NameN-[(1S,2R,3S,4R)-2,3,4,5-tetrahydroxy-1-[(2S)-5-oxo-4-phenylmethoxy-2H-furan-2-yl]pentyl]acetamide
SMILESCC(=O)N[C@@H]([C@@H](O)[C@H](O)[C@H](O)CO)[C@@H]1C=C(OCc2ccccc2)C(=O)O1
InChIInChI=1S/C18H23NO8/c1-10(21)19-15(17(24)16(23)12(22)8-20)13-7-14(18(25)27-13)26-9-11-5-3-2-4-6-11/h2-7,12-13,15-17,20,22-24H,8-9H2,1H3,(H,19,21)/t12-,13+,15-,16-,17-/m1/s1
InChIKeyYAUVCJVMXAAOED-IMPMIVQMSA-N
XLogP-1.41
TPSA145.55 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.38
LogP ≤ 5-1.41
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 108

Analyze N-[(1S,2R,3S,4R)-2,3,4,5-tetrahydroxy-1-[(2S)-5-oxo-4-phenylmethoxy-2H-furan-2-yl]pentyl]acetamide with MolForge

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Related Compounds

(2R)-2-[(2R)-5-oxo-4-phenylmethoxy-2H-furan-2-yl]-2-phenylmethoxyacetic acid
CID 10808026
(2S,3S,4R,5R)-3,4,5,6-tetrahydroxy-2-phenylmethoxyhexanal
CID 88598218
benzyl N-[(2S,3R,4S,5R)-3,4,5,6-tetrahydroxy-1-oxohexan-2-yl]carbamate
CID 71433377
6-phenylmethoxyheptane-1,2,3,4,5-pentol
CID 174419324
N-(3-hydroxy-4-phenylmethoxypentan-2-yl)acetamide
CID 123756528
(2R)-2-[(1R)-1,2-dihydroxyethyl]-3-hydroxy-4-phenylmethoxy-2H-furan-5-one
CID 70356460
(2R,3S)-1-phenylmethoxybutane-1,2,3,4-tetrol
CID 69033542
(3S,4R)-3-methyl-4-[(1S)-3-oxo-1-phenylmethoxybutyl]oxetan-2-one
CID 101455375
N-[(R)-cyano-(4-phenylmethoxyphenyl)methyl]acetamide
CID 95306841
2,3,4-trihydroxy-N-phenylmethoxybutanamide
CID 130149986
(2R,3R,4R,5S)-2,3,4,5,6-pentahydroxy-N-(2-phenylethyl)hexanamide
CID 92529727
CID 174569187
CID 174569187

Frequently Asked Questions

What is the IUPAC name of N-[(1S,2R,3S,4R)-2,3,4,5-tetrahydroxy-1-[(2S)-5-oxo-4-phenylmethoxy-2H-furan-2-yl]pentyl]acetamide?
The IUPAC name of N-[(1S,2R,3S,4R)-2,3,4,5-tetrahydroxy-1-[(2S)-5-oxo-4-phenylmethoxy-2H-furan-2-yl]pentyl]acetamide (CID 23260033) is N-[(1S,2R,3S,4R)-2,3,4,5-tetrahydroxy-1-[(2S)-5-oxo-4-phenylmethoxy-2H-furan-2-yl]pentyl]acetamide.
What is the SMILES notation for N-[(1S,2R,3S,4R)-2,3,4,5-tetrahydroxy-1-[(2S)-5-oxo-4-phenylmethoxy-2H-furan-2-yl]pentyl]acetamide?
The canonical SMILES for N-[(1S,2R,3S,4R)-2,3,4,5-tetrahydroxy-1-[(2S)-5-oxo-4-phenylmethoxy-2H-furan-2-yl]pentyl]acetamide is CC(=O)N[C@@H]([C@@H](O)[C@H](O)[C@H](O)CO)[C@@H]1C=C(OCc2ccccc2)C(=O)O1.
What is the InChIKey of N-[(1S,2R,3S,4R)-2,3,4,5-tetrahydroxy-1-[(2S)-5-oxo-4-phenylmethoxy-2H-furan-2-yl]pentyl]acetamide?
The InChIKey is YAUVCJVMXAAOED-IMPMIVQMSA-N. The full InChI is InChI=1S/C18H23NO8/c1-10(21)19-15(17(24)16(23)12(22)8-20)13-7-14(18(25)27-13)26-9-11-5-3-2-4-6-11/h2-7,12-13,15-17,20,22-24H,8-9H2,1H3,(H,19,21)/t12-,13+,15-,16-,17-/m1/s1.
What are the key properties of N-[(1S,2R,3S,4R)-2,3,4,5-tetrahydroxy-1-[(2S)-5-oxo-4-phenylmethoxy-2H-furan-2-yl]pentyl]acetamide?
N-[(1S,2R,3S,4R)-2,3,4,5-tetrahydroxy-1-[(2S)-5-oxo-4-phenylmethoxy-2H-furan-2-yl]pentyl]acetamide has a molecular weight of 381.38 g/mol, XLogP of -1.41, 9 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2R,3S,4R)-2,3,4,5-tetrahydroxy-1-[(2S)-5-oxo-4-phenylmethoxy-2H-furan-2-yl]pentyl]acetamide is sourced from PubChem (CID 23260033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).