N-[(2S,3R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[(2R,3R,4R,5R,6S)-4-hydroxy-6-methyl-5-phenylmethoxy-2-propoxyoxan-3-yl]oxyoxan-3-yl]acetamide

C24H37NO10 — CID 102221314

IUPACN-[(2S,3R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[(2R,3R,4R,5R,6S)-4-hydroxy-6-methyl-5-phenylmethoxy-2-propoxyoxan-3-yl]oxyoxan-3-yl]acetamide
SMILESCCCO[C@@H]1O[C@@H](C)[C@H](OCc2ccccc2)[C@@H](O)[C@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1NC(C)=O
InChIInChI=1S/C24H37NO10/c1-4-10-31-24-22(20(30)21(13(2)33-24)32-12-15-8-6-5-7-9-15)35-23-17(25-14(3)27)19(29)18(28)16(11-26)34-23/h5-9,13,16-24,26,28-30H,4,10-12H2,1-3H3,(H,25,27)/t13-,16+,17+,18-,19+,20+,21-,22+,23-,24+/m0/s1
InChIKeyMZCUFXCGQQUAER-HTUFLDGZSA-N
MW499.56 g/mol
LogP-0.57
Rot. Bonds10

About N-[(2S,3R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[(2R,3R,4R,5R,6S)-4-hydroxy-6-methyl-5-phenylmethoxy-2-propoxyoxan-3-yl]oxyoxan-3-yl]acetamide

N-[(2S,3R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[(2R,3R,4R,5R,6S)-4-hydroxy-6-methyl-5-phenylmethoxy-2-propoxyoxan-3-yl]oxyoxan-3-yl]acetamide (PubChem CID 102221314) has the molecular formula C24H37NO10 and a molecular weight of 499.56 g/mol. Its IUPAC name is N-[(2S,3R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[(2R,3R,4R,5R,6S)-4-hydroxy-6-methyl-5-phenylmethoxy-2-propoxyoxan-3-yl]oxyoxan-3-yl]acetamide.

Molecular Properties

Compound NameN-[(2S,3R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[(2R,3R,4R,5R,6S)-4-hydroxy-6-methyl-5-phenylmethoxy-2-propoxyoxan-3-yl]oxyoxan-3-yl]acetamide
PubChem CID102221314
Molecular FormulaC24H37NO10
Molecular Weight499.56 g/mol
Exact Mass499.24
IUPAC NameN-[(2S,3R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[(2R,3R,4R,5R,6S)-4-hydroxy-6-methyl-5-phenylmethoxy-2-propoxyoxan-3-yl]oxyoxan-3-yl]acetamide
SMILESCCCO[C@@H]1O[C@@H](C)[C@H](OCc2ccccc2)[C@@H](O)[C@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1NC(C)=O
InChIInChI=1S/C24H37NO10/c1-4-10-31-24-22(20(30)21(13(2)33-24)32-12-15-8-6-5-7-9-15)35-23-17(25-14(3)27)19(29)18(28)16(11-26)34-23/h5-9,13,16-24,26,28-30H,4,10-12H2,1-3H3,(H,25,27)/t13-,16+,17+,18-,19+,20+,21-,22+,23-,24+/m0/s1
InChIKeyMZCUFXCGQQUAER-HTUFLDGZSA-N
XLogP-0.57
TPSA156.17 Ų
H-Bond Donors5
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.56
LogP ≤ 5-0.57
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1010

Analyze N-[(2S,3R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[(2R,3R,4R,5R,6S)-4-hydroxy-6-methyl-5-phenylmethoxy-2-propoxyoxan-3-yl]oxyoxan-3-yl]acetamide with MolForge

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Related Compounds

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-[(2R,3R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-phenylmethoxyoxan-3-yl]acetamide
CID 6540868
N-[(2S,3R,4R,5S,6S)-4,5-dihydroxy-6-(hydroxymethyl)-2-phenylmethoxyoxan-3-yl]acetamide
CID 11870400
N-[(2S,4R,5S)-4,5-dihydroxy-6-(hydroxymethyl)-2-[(2R,3S,5S)-5-hydroxy-6-methyl-2-propoxy-4-[(2R,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]oxyoxan-3-yl]acetamide
CID 70841935
N-[(2S,3S,5S)-4,5-dihydroxy-6-(hydroxymethyl)-2-[(2R,4S,5S)-5-hydroxy-6-methyl-2-propoxy-4-[(2R,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]oxyoxan-3-yl]acetamide
CID 70841902
N-[(2R,3R,4R,5S,6R)-2-[[(2R,3S,4S,5S,6S)-5-[(2S,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-propoxyoxan-2-yl]methoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
CID 11734842
N-[(2R,3R,4R,5S,6R)-4-[(2R,3R,4S,5S,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)-2-phenylmethoxyoxan-3-yl]acetamide
CID 11146642
N-[(2S,3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[(2S,3R,4R,5S,6S)-6-methyl-2-[(2R,3R,4R,5S,6S)-6-methyl-4,5-bis(phenylmethoxy)-2-prop-2-enoxyoxan-3-yl]oxy-5-phenylmethoxy-4-[(2S,3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxan-3-yl]oxyoxan-3-yl]acetamide
CID 102507893
N-[(2S,3R,4R,5S,6R)-4-hydroxy-6-(hydroxymethyl)-2,5-bis(phenylmethoxy)oxan-3-yl]acetamide
CID 23266984
N-[(2S,3R,4R,5S,6R)-2-[(2S,3R,4S,5S,6R)-2-[(2R,3S,4R,5R,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-phenylmethoxyoxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-5-hydroxy-6-(hydroxymethyl)-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]acetamide
CID 46226516
N-[(2R,3S,5R)-4,5-dihydroxy-6-(hydroxymethyl)-2-propoxyoxan-3-yl]acetamide
CID 118054664

Frequently Asked Questions

What is the IUPAC name of N-[(2S,3R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[(2R,3R,4R,5R,6S)-4-hydroxy-6-methyl-5-phenylmethoxy-2-propoxyoxan-3-yl]oxyoxan-3-yl]acetamide?
The IUPAC name of N-[(2S,3R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[(2R,3R,4R,5R,6S)-4-hydroxy-6-methyl-5-phenylmethoxy-2-propoxyoxan-3-yl]oxyoxan-3-yl]acetamide (CID 102221314) is N-[(2S,3R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[(2R,3R,4R,5R,6S)-4-hydroxy-6-methyl-5-phenylmethoxy-2-propoxyoxan-3-yl]oxyoxan-3-yl]acetamide.
What is the SMILES notation for N-[(2S,3R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[(2R,3R,4R,5R,6S)-4-hydroxy-6-methyl-5-phenylmethoxy-2-propoxyoxan-3-yl]oxyoxan-3-yl]acetamide?
The canonical SMILES for N-[(2S,3R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[(2R,3R,4R,5R,6S)-4-hydroxy-6-methyl-5-phenylmethoxy-2-propoxyoxan-3-yl]oxyoxan-3-yl]acetamide is CCCO[C@@H]1O[C@@H](C)[C@H](OCc2ccccc2)[C@@H](O)[C@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1NC(C)=O.
What is the InChIKey of N-[(2S,3R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[(2R,3R,4R,5R,6S)-4-hydroxy-6-methyl-5-phenylmethoxy-2-propoxyoxan-3-yl]oxyoxan-3-yl]acetamide?
The InChIKey is MZCUFXCGQQUAER-HTUFLDGZSA-N. The full InChI is InChI=1S/C24H37NO10/c1-4-10-31-24-22(20(30)21(13(2)33-24)32-12-15-8-6-5-7-9-15)35-23-17(25-14(3)27)19(29)18(28)16(11-26)34-23/h5-9,13,16-24,26,28-30H,4,10-12H2,1-3H3,(H,25,27)/t13-,16+,17+,18-,19+,20+,21-,22+,23-,24+/m0/s1.
What are the key properties of N-[(2S,3R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[(2R,3R,4R,5R,6S)-4-hydroxy-6-methyl-5-phenylmethoxy-2-propoxyoxan-3-yl]oxyoxan-3-yl]acetamide?
N-[(2S,3R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[(2R,3R,4R,5R,6S)-4-hydroxy-6-methyl-5-phenylmethoxy-2-propoxyoxan-3-yl]oxyoxan-3-yl]acetamide has a molecular weight of 499.56 g/mol, XLogP of -0.57, 10 rotatable bonds, 5 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S,3R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[(2R,3R,4R,5R,6S)-4-hydroxy-6-methyl-5-phenylmethoxy-2-propoxyoxan-3-yl]oxyoxan-3-yl]acetamide is sourced from PubChem (CID 102221314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).