2-acetamido-N-[1-[(2R,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-[(5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-[[(2R,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]propan-2-yl]acetamide

C26H46N2O20 — CID 70917279

IUPAC2-acetamido-N-[1-[(2R,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-[(5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-[[(2R,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]propan-2-yl]acetamide
SMILESCC(=O)NCC(=O)NC(COC1OC(CO)[C@H](O)C(O)C1O)(CO[C@@H]1OC(CO)[C@H](O)C(O)C1O)CO[C@@H]1OC(CO)[C@H](O)C(O)C1O
InChIInChI=1S/C26H46N2O20/c1-9(32)27-2-13(33)28-26(6-43-23-20(40)17(37)14(34)10(3-29)46-23,7-44-24-21(41)18(38)15(35)11(4-30)47-24)8-45-25-22(42)19(39)16(36)12(5-31)48-25/h10-12,14-25,29-31,34-42H,2-8H2,1H3,(H,27,32)(H,28,33)/t10?,11?,12?,14-,15-,16-,17?,18?,19?,20?,21?,22?,23+,24+,25?,26?/m0/s1
InChIKeyYOAMOUXOLDFVAK-HUXXWHGUSA-N
MW706.65 g/mol
LogP-9.57
Rot. Bonds15

About 2-acetamido-N-[1-[(2R,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-[(5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-[[(2R,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]propan-2-yl]acetamide

2-acetamido-N-[1-[(2R,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-[(5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-[[(2R,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]propan-2-yl]acetamide (PubChem CID 70917279) has the molecular formula C26H46N2O20 and a molecular weight of 706.65 g/mol. Its IUPAC name is 2-acetamido-N-[1-[(2R,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-[(5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-[[(2R,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]propan-2-yl]acetamide.

Molecular Properties

Compound Name2-acetamido-N-[1-[(2R,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-[(5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-[[(2R,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]propan-2-yl]acetamide
PubChem CID70917279
Molecular FormulaC26H46N2O20
Molecular Weight706.65 g/mol
Exact Mass706.26
IUPAC Name2-acetamido-N-[1-[(2R,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-[(5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-[[(2R,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]propan-2-yl]acetamide
SMILESCC(=O)NCC(=O)NC(COC1OC(CO)[C@H](O)C(O)C1O)(CO[C@@H]1OC(CO)[C@H](O)C(O)C1O)CO[C@@H]1OC(CO)[C@H](O)C(O)C1O
InChIInChI=1S/C26H46N2O20/c1-9(32)27-2-13(33)28-26(6-43-23-20(40)17(37)14(34)10(3-29)46-23,7-44-24-21(41)18(38)15(35)11(4-30)47-24)8-45-25-22(42)19(39)16(36)12(5-31)48-25/h10-12,14-25,29-31,34-42H,2-8H2,1H3,(H,27,32)(H,28,33)/t10?,11?,12?,14-,15-,16-,17?,18?,19?,20?,21?,22?,23+,24+,25?,26?/m0/s1
InChIKeyYOAMOUXOLDFVAK-HUXXWHGUSA-N
XLogP-9.57
TPSA356.34 Ų
H-Bond Donors14
H-Bond Acceptors20
Rotatable Bonds15
Heavy Atoms48
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500706.65
LogP ≤ 5-9.57
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1020

Analyze 2-acetamido-N-[1-[(2R,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-[(5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-[[(2R,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]propan-2-yl]acetamide with MolForge

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Related Compounds

methyl 6-[[2-[[1,3-bis[3-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropoxymethoxy]-2-[3-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropoxymethoxymethyl]propan-2-yl]amino]-2-oxoethyl]amino]-6-oxohexanoate
CID 10486308
(3S,4S,5S)-2-(hydroxymethyl)-6-[2-(iodoamino)-3-[(3S,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-[[(3S,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]propoxy]oxane-3,4,5-triol
CID 130198836
N-[1-hydroxy-2-(hydroxymethyl)-3-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropan-2-yl]prop-2-enamide
CID 102533122
N-[1,3-bis[[(2R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]-2-[[(2R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]propan-2-yl]-2-nonylundecanamide
CID 148931588
(2S,4S,5S)-2-(2,2-dimethylpropoxy)-6-(hydroxymethyl)oxane-3,4,5-triol
CID 160852140
(2S)-2-[4,7-bis[(1S)-4-[[1,3-bis[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]-2-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]propan-2-yl]amino]-1-carboxy-4-oxobutyl]-10-[(2R)-5-[[1,3-bis[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]-2-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]propan-2-yl]amino]-5-oxopentan-2-yl]-1,4,7,10-tetrazacyclododec-1-yl]-5-[[1,3-bis[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]-2-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]propan-2-yl]amino]-5-oxopentanoic acid
CID 58472299
N-[1,3-bis[3-[2-[2-[2-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethylamino]-3-oxopropoxy]-2-[[3-[2-[2-[2-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethylamino]-3-oxopropoxy]methyl]propan-2-yl]-3-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]propanamide
CID 164761318
2-[[2-oxo-2-[2-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethylamino]ethyl]amino]-N-[2-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]acetamide
CID 142610328
N-[(2R,3R,4R,5R,6R)-2-(2-azidoethoxy)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide;(2R,3R,4S,5S,6R)-2-(2-azidoethoxy)-6-(hydroxymethyl)oxane-3,4,5-triol
CID 166771598
(2S,4S,5S)-2-[2-amino-3-[(2S,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-[[(2S,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]propoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
CID 71013396
methane;3-[2-methyl-3-[3-oxo-3-[2-[2-[2-[(2S,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethylamino]propoxy]-2-[[3-oxo-3-[2-[2-[2-[(2S,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethylamino]propoxy]methyl]propoxy]-N-[2-[2-[2-[(2S,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethyl]propanamide
CID 160950334
N,N'-bis[2-[2-[2-[2-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethoxy]ethyl]-4-[3-[2-[2-[2-[2-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethoxy]ethylamino]-3-oxopropyl]-4-[[2-(3-methylpentan-3-ylamino)acetyl]amino]heptanediamide
CID 155445367

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-N-[1-[(2R,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-[(5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-[[(2R,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]propan-2-yl]acetamide?
The IUPAC name of 2-acetamido-N-[1-[(2R,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-[(5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-[[(2R,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]propan-2-yl]acetamide (CID 70917279) is 2-acetamido-N-[1-[(2R,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-[(5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-[[(2R,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]propan-2-yl]acetamide.
What is the SMILES notation for 2-acetamido-N-[1-[(2R,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-[(5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-[[(2R,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]propan-2-yl]acetamide?
The canonical SMILES for 2-acetamido-N-[1-[(2R,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-[(5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-[[(2R,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]propan-2-yl]acetamide is CC(=O)NCC(=O)NC(COC1OC(CO)[C@H](O)C(O)C1O)(CO[C@@H]1OC(CO)[C@H](O)C(O)C1O)CO[C@@H]1OC(CO)[C@H](O)C(O)C1O.
What is the InChIKey of 2-acetamido-N-[1-[(2R,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-[(5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-[[(2R,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]propan-2-yl]acetamide?
The InChIKey is YOAMOUXOLDFVAK-HUXXWHGUSA-N. The full InChI is InChI=1S/C26H46N2O20/c1-9(32)27-2-13(33)28-26(6-43-23-20(40)17(37)14(34)10(3-29)46-23,7-44-24-21(41)18(38)15(35)11(4-30)47-24)8-45-25-22(42)19(39)16(36)12(5-31)48-25/h10-12,14-25,29-31,34-42H,2-8H2,1H3,(H,27,32)(H,28,33)/t10?,11?,12?,14-,15-,16-,17?,18?,19?,20?,21?,22?,23+,24+,25?,26?/m0/s1.
What are the key properties of 2-acetamido-N-[1-[(2R,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-[(5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-[[(2R,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]propan-2-yl]acetamide?
2-acetamido-N-[1-[(2R,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-[(5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-[[(2R,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]propan-2-yl]acetamide has a molecular weight of 706.65 g/mol, XLogP of -9.57, 15 rotatable bonds, 14 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-N-[1-[(2R,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-[(5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-[[(2R,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]propan-2-yl]acetamide is sourced from PubChem (CID 70917279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).