N-[(3R,4R,5S,6R)-2-benzyl-2,5-dihydroxy-6-(hydroxymethyl)-4-phenylmethoxyoxan-3-yl]butanamide

C24H31NO6 — CID 138685155

IUPACN-[(3R,4R,5S,6R)-2-benzyl-2,5-dihydroxy-6-(hydroxymethyl)-4-phenylmethoxyoxan-3-yl]butanamide
SMILESCCCC(=O)NC1[C@@H](OCc2ccccc2)[C@H](O)[C@@H](CO)OC1(O)Cc1ccccc1
InChIInChI=1S/C24H31NO6/c1-2-9-20(27)25-23-22(30-16-18-12-7-4-8-13-18)21(28)19(15-26)31-24(23,29)14-17-10-5-3-6-11-17/h3-8,10-13,19,21-23,26,28-29H,2,9,14-16H2,1H3,(H,25,27)/t19-,21-,22+,23?,24?/m1/s1
InChIKeyLHSBBTBFFNPDIF-CAGISBQGSA-N
MW429.51 g/mol
LogP1.54
Rot. Bonds9

About N-[(3R,4R,5S,6R)-2-benzyl-2,5-dihydroxy-6-(hydroxymethyl)-4-phenylmethoxyoxan-3-yl]butanamide

N-[(3R,4R,5S,6R)-2-benzyl-2,5-dihydroxy-6-(hydroxymethyl)-4-phenylmethoxyoxan-3-yl]butanamide (PubChem CID 138685155) has the molecular formula C24H31NO6 and a molecular weight of 429.51 g/mol. Its IUPAC name is N-[(3R,4R,5S,6R)-2-benzyl-2,5-dihydroxy-6-(hydroxymethyl)-4-phenylmethoxyoxan-3-yl]butanamide.

Molecular Properties

Compound NameN-[(3R,4R,5S,6R)-2-benzyl-2,5-dihydroxy-6-(hydroxymethyl)-4-phenylmethoxyoxan-3-yl]butanamide
PubChem CID138685155
Molecular FormulaC24H31NO6
Molecular Weight429.51 g/mol
Exact Mass429.22
IUPAC NameN-[(3R,4R,5S,6R)-2-benzyl-2,5-dihydroxy-6-(hydroxymethyl)-4-phenylmethoxyoxan-3-yl]butanamide
SMILESCCCC(=O)NC1[C@@H](OCc2ccccc2)[C@H](O)[C@@H](CO)OC1(O)Cc1ccccc1
InChIInChI=1S/C24H31NO6/c1-2-9-20(27)25-23-22(30-16-18-12-7-4-8-13-18)21(28)19(15-26)31-24(23,29)14-17-10-5-3-6-11-17/h3-8,10-13,19,21-23,26,28-29H,2,9,14-16H2,1H3,(H,25,27)/t19-,21-,22+,23?,24?/m1/s1
InChIKeyLHSBBTBFFNPDIF-CAGISBQGSA-N
XLogP1.54
TPSA108.25 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.51
LogP ≤ 51.54
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze N-[(3R,4R,5S,6R)-2-benzyl-2,5-dihydroxy-6-(hydroxymethyl)-4-phenylmethoxyoxan-3-yl]butanamide with MolForge

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Related Compounds

[(2R,3S,4R,5R)-6-benzyl-5-(butanoylamino)-3-hexanoyl-3,6-dihydroxy-4-phenylmethoxyoxan-2-yl]methyl hexanoate
CID 138685220
(3S,4R,5S)-2-benzyl-5-(hydroxymethyl)oxolane-2,3,4-triol
CID 142629851
N-[(2R,3R,4R,5S,6R)-5-hydroxy-6-(hydroxymethyl)-4-phenylmethoxy-2-prop-2-enoxyoxan-3-yl]hexadecanamide
CID 18595873
N-[(2S,3S,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-phenylmethoxyoxan-3-yl]hexadecanamide
CID 70480518
2,2,2-trifluoro-N-[(3S,4R,5R,6R)-5-hydroxy-6-(hydroxymethyl)-4-phenylmethoxyoxan-3-yl]acetamide
CID 176815952
[(2R,3S,4R,5R)-5-(butanoylamino)-3-hydroxy-4,6-bis(phenylmethoxy)oxan-2-yl]methyl 2-(1-adamantyl)acetate
CID 155753147
(2R,3R,4S,5R)-2-(hydroxymethyl)-5-methyl-4-phenylmethoxyoxolan-3-ol
CID 58747870
(2S,3R,4R,5S,6R)-3-amino-2-benzyl-6-(hydroxymethyl)oxane-2,4,5-triol
CID 140974185
(3S,4R,5S,6S)-6-(hydroxymethyl)-4-phenylmethoxyoxane-2,3,5-triol
CID 154701983
(2R,3S,4S,5R,6R)-6-(hydroxymethyl)-4-phenylmethoxyoxane-2,3,5-triol
CID 10973150
(2S,3S,4S,5S,6R)-6-[(2R,3R,4R,5R,6S)-5-hydroxy-6-(hydroxymethyl)-3,4-bis(phenylmethoxy)oxan-2-yl]oxy-2-(hydroxymethyl)-4,5-bis(phenylmethoxy)oxan-3-ol
CID 99694818
[(1R,2R,3S,4S,5R,6S)-2-butanoyloxy-4,5-dihydroxy-3,6-bis(phenylmethoxy)cyclohexyl] butanoate
CID 11755710

Frequently Asked Questions

What is the IUPAC name of N-[(3R,4R,5S,6R)-2-benzyl-2,5-dihydroxy-6-(hydroxymethyl)-4-phenylmethoxyoxan-3-yl]butanamide?
The IUPAC name of N-[(3R,4R,5S,6R)-2-benzyl-2,5-dihydroxy-6-(hydroxymethyl)-4-phenylmethoxyoxan-3-yl]butanamide (CID 138685155) is N-[(3R,4R,5S,6R)-2-benzyl-2,5-dihydroxy-6-(hydroxymethyl)-4-phenylmethoxyoxan-3-yl]butanamide.
What is the SMILES notation for N-[(3R,4R,5S,6R)-2-benzyl-2,5-dihydroxy-6-(hydroxymethyl)-4-phenylmethoxyoxan-3-yl]butanamide?
The canonical SMILES for N-[(3R,4R,5S,6R)-2-benzyl-2,5-dihydroxy-6-(hydroxymethyl)-4-phenylmethoxyoxan-3-yl]butanamide is CCCC(=O)NC1[C@@H](OCc2ccccc2)[C@H](O)[C@@H](CO)OC1(O)Cc1ccccc1.
What is the InChIKey of N-[(3R,4R,5S,6R)-2-benzyl-2,5-dihydroxy-6-(hydroxymethyl)-4-phenylmethoxyoxan-3-yl]butanamide?
The InChIKey is LHSBBTBFFNPDIF-CAGISBQGSA-N. The full InChI is InChI=1S/C24H31NO6/c1-2-9-20(27)25-23-22(30-16-18-12-7-4-8-13-18)21(28)19(15-26)31-24(23,29)14-17-10-5-3-6-11-17/h3-8,10-13,19,21-23,26,28-29H,2,9,14-16H2,1H3,(H,25,27)/t19-,21-,22+,23?,24?/m1/s1.
What are the key properties of N-[(3R,4R,5S,6R)-2-benzyl-2,5-dihydroxy-6-(hydroxymethyl)-4-phenylmethoxyoxan-3-yl]butanamide?
N-[(3R,4R,5S,6R)-2-benzyl-2,5-dihydroxy-6-(hydroxymethyl)-4-phenylmethoxyoxan-3-yl]butanamide has a molecular weight of 429.51 g/mol, XLogP of 1.54, 9 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4R,5S,6R)-2-benzyl-2,5-dihydroxy-6-(hydroxymethyl)-4-phenylmethoxyoxan-3-yl]butanamide is sourced from PubChem (CID 138685155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).