N-[(2R,4R,5S)-4-[(2R,4S,5R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,4S,5S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-6-(hydroxymethyl)-2-[(4S,5S)-2,3,5-trihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-5-[(2S,4S,5S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl]acetamide

C32H55NO24 — CID 159669421

IUPACN-[(2R,4R,5S)-4-[(2R,4S,5R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,4S,5S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-6-(hydroxymethyl)-2-[(4S,5S)-2,3,5-trihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-5-[(2S,4S,5S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl]acetamide
SMILESCC(=O)NC1[C@@H](O[C@@H]2C(O)C(O)OC(CO)[C@@H]2O)OC(CO)[C@@H](O[C@@H]2OC(C)[C@@H](O)[C@H](O)C2O)[C@@H]1O[C@@H]1OC(CO)[C@H](O)[C@H](O)C1O[C@@H]1OC(C)[C@@H](O)[C@H](O)C1O
InChIInChI=1S/C32H55NO24/c1-7-14(38)18(42)21(45)30(49-7)54-24-12(6-36)53-29(56-26-17(41)11(5-35)51-28(48)23(26)47)13(33-9(3)37)25(24)55-32-27(20(44)16(40)10(4-34)52-32)57-31-22(46)19(43)15(39)8(2)50-31/h7-8,10-32,34-36,38-48H,4-6H2,1-3H3,(H,33,37)/t7?,8?,10?,11?,12?,13?,14-,15-,16+,17+,18+,19+,20+,21?,22?,23?,24-,25-,26+,27?,28?,29-,30+,31+,32+/m1/s1
InChIKeyMTUSDXZRPZEKCU-OEVSXABPSA-N
MW837.77 g/mol
LogP-9.73
Rot. Bonds12

About N-[(2R,4R,5S)-4-[(2R,4S,5R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,4S,5S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-6-(hydroxymethyl)-2-[(4S,5S)-2,3,5-trihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-5-[(2S,4S,5S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl]acetamide

N-[(2R,4R,5S)-4-[(2R,4S,5R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,4S,5S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-6-(hydroxymethyl)-2-[(4S,5S)-2,3,5-trihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-5-[(2S,4S,5S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl]acetamide (PubChem CID 159669421) has the molecular formula C32H55NO24 and a molecular weight of 837.77 g/mol. Its IUPAC name is N-[(2R,4R,5S)-4-[(2R,4S,5R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,4S,5S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-6-(hydroxymethyl)-2-[(4S,5S)-2,3,5-trihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-5-[(2S,4S,5S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl]acetamide.

Molecular Properties

Compound NameN-[(2R,4R,5S)-4-[(2R,4S,5R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,4S,5S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-6-(hydroxymethyl)-2-[(4S,5S)-2,3,5-trihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-5-[(2S,4S,5S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl]acetamide
PubChem CID159669421
Molecular FormulaC32H55NO24
Molecular Weight837.77 g/mol
Exact Mass837.31
IUPAC NameN-[(2R,4R,5S)-4-[(2R,4S,5R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,4S,5S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-6-(hydroxymethyl)-2-[(4S,5S)-2,3,5-trihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-5-[(2S,4S,5S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl]acetamide
SMILESCC(=O)NC1[C@@H](O[C@@H]2C(O)C(O)OC(CO)[C@@H]2O)OC(CO)[C@@H](O[C@@H]2OC(C)[C@@H](O)[C@H](O)C2O)[C@@H]1O[C@@H]1OC(CO)[C@H](O)[C@H](O)C1O[C@@H]1OC(C)[C@@H](O)[C@H](O)C1O
InChIInChI=1S/C32H55NO24/c1-7-14(38)18(42)21(45)30(49-7)54-24-12(6-36)53-29(56-26-17(41)11(5-35)51-28(48)23(26)47)13(33-9(3)37)25(24)55-32-27(20(44)16(40)10(4-34)52-32)57-31-22(46)19(43)15(39)8(2)50-31/h7-8,10-32,34-36,38-48H,4-6H2,1-3H3,(H,33,37)/t7?,8?,10?,11?,12?,13?,14-,15-,16+,17+,18+,19+,20+,21?,22?,23?,24-,25-,26+,27?,28?,29-,30+,31+,32+/m1/s1
InChIKeyMTUSDXZRPZEKCU-OEVSXABPSA-N
XLogP-9.73
TPSA395.39 Ų
H-Bond Donors15
H-Bond Acceptors24
Rotatable Bonds12
Heavy Atoms57
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500837.77
LogP ≤ 5-9.73
H-Bond Donors ≤ 515
H-Bond Acceptors ≤ 1024

Analyze N-[(2R,4R,5S)-4-[(2R,4S,5R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,4S,5S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-6-(hydroxymethyl)-2-[(4S,5S)-2,3,5-trihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-5-[(2S,4S,5S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl]acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(2R,4R,5S)-4-[(2R,4S,5R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,4S,5S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-6-(hydroxymethyl)-2-[(4S,5S)-2,3,5-trihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-5-[(2S,4S,5S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl]acetamide?
The IUPAC name of N-[(2R,4R,5S)-4-[(2R,4S,5R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,4S,5S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-6-(hydroxymethyl)-2-[(4S,5S)-2,3,5-trihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-5-[(2S,4S,5S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl]acetamide (CID 159669421) is N-[(2R,4R,5S)-4-[(2R,4S,5R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,4S,5S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-6-(hydroxymethyl)-2-[(4S,5S)-2,3,5-trihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-5-[(2S,4S,5S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl]acetamide.
What is the SMILES notation for N-[(2R,4R,5S)-4-[(2R,4S,5R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,4S,5S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-6-(hydroxymethyl)-2-[(4S,5S)-2,3,5-trihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-5-[(2S,4S,5S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl]acetamide?
The canonical SMILES for N-[(2R,4R,5S)-4-[(2R,4S,5R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,4S,5S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-6-(hydroxymethyl)-2-[(4S,5S)-2,3,5-trihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-5-[(2S,4S,5S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl]acetamide is CC(=O)NC1[C@@H](O[C@@H]2C(O)C(O)OC(CO)[C@@H]2O)OC(CO)[C@@H](O[C@@H]2OC(C)[C@@H](O)[C@H](O)C2O)[C@@H]1O[C@@H]1OC(CO)[C@H](O)[C@H](O)C1O[C@@H]1OC(C)[C@@H](O)[C@H](O)C1O.
What is the InChIKey of N-[(2R,4R,5S)-4-[(2R,4S,5R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,4S,5S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-6-(hydroxymethyl)-2-[(4S,5S)-2,3,5-trihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-5-[(2S,4S,5S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl]acetamide?
The InChIKey is MTUSDXZRPZEKCU-OEVSXABPSA-N. The full InChI is InChI=1S/C32H55NO24/c1-7-14(38)18(42)21(45)30(49-7)54-24-12(6-36)53-29(56-26-17(41)11(5-35)51-28(48)23(26)47)13(33-9(3)37)25(24)55-32-27(20(44)16(40)10(4-34)52-32)57-31-22(46)19(43)15(39)8(2)50-31/h7-8,10-32,34-36,38-48H,4-6H2,1-3H3,(H,33,37)/t7?,8?,10?,11?,12?,13?,14-,15-,16+,17+,18+,19+,20+,21?,22?,23?,24-,25-,26+,27?,28?,29-,30+,31+,32+/m1/s1.
What are the key properties of N-[(2R,4R,5S)-4-[(2R,4S,5R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,4S,5S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-6-(hydroxymethyl)-2-[(4S,5S)-2,3,5-trihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-5-[(2S,4S,5S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl]acetamide?
N-[(2R,4R,5S)-4-[(2R,4S,5R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,4S,5S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-6-(hydroxymethyl)-2-[(4S,5S)-2,3,5-trihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-5-[(2S,4S,5S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl]acetamide has a molecular weight of 837.77 g/mol, XLogP of -9.73, 12 rotatable bonds, 15 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R,4R,5S)-4-[(2R,4S,5R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,4S,5S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-6-(hydroxymethyl)-2-[(4S,5S)-2,3,5-trihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-5-[(2S,4S,5S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl]acetamide is sourced from PubChem (CID 159669421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).