6-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-N-[4-[[4-[2-[5-[[5-[[6-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,3,5,5-tetramethylhexanoyl]amino]-2,4,4-trimethylpentan-2-yl]amino]-2,4,4-trimethyl-5-oxopentan-2-yl]oxy-3-(5-amino-4,4-dimethyl-5-oxopentan-2-yl)oxypropoxy]-2,2,4-trimethylpentanoyl]amino]-2,2,4-trimethylpentyl]-3,3,5,5-tetramethylhexanamide

C78H147N7O20 — CID 166930579

IUPAC6-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-N-[4-[[4-[2-[5-[[5-[[6-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,3,5,5-tetramethylhexanoyl]amino]-2,4,4-trimethylpentan-2-yl]amino]-2,4,4-trimethyl-5-oxopentan-2-yl]oxy-3-(5-amino-4,4-dimethyl-5-oxopentan-2-yl)oxypropoxy]-2,2,4-trimethylpentanoyl]amino]-2,2,4-trimethylpentyl]-3,3,5,5-tetramethylhexanamide
SMILESCC(=O)NC1C(OCC(C)(C)CC(C)(C)CC(=O)NCC(C)(C)CC(C)(C)NC(=O)C(C)(C)CC(C)(C)OCC(COC(C)CC(C)(C)C(N)=O)OC(C)(C)CC(C)(C)C(=O)NC(C)(C)CC(C)(C)CNC(=O)CC(C)(C)CC(C)(C)COC2OC(CO)C(O)C(O)C2NC(C)=O)OC(CO)C(O)C1O
InChIInChI=1S/C78H147N7O20/c1-47(30-72(16,17)63(79)96)99-35-50(105-78(28,29)42-74(20,21)65(98)85-76(24,25)40-69(10,11)44-81-54(91)32-67(6,7)38-71(14,15)46-101-62-56(83-49(3)89)60(95)58(93)52(34-87)104-62)36-102-77(26,27)41-73(18,19)64(97)84-75(22,23)39-68(8,9)43-80-53(90)31-66(4,5)37-70(12,13)45-100-61-55(82-48(2)88)59(94)57(92)51(33-86)103-61/h47,50-52,55-62,86-87,92-95H,30-46H2,1-29H3,(H2,79,96)(H,80,90)(H,81,91)(H,82,88)(H,83,89)(H,84,97)(H,85,98)
InChIKeyDGPWEGASDOEXGE-UHFFFAOYSA-N
MW1503.06 g/mol
LogP6.53
Rot. Bonds45

About 6-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-N-[4-[[4-[2-[5-[[5-[[6-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,3,5,5-tetramethylhexanoyl]amino]-2,4,4-trimethylpentan-2-yl]amino]-2,4,4-trimethyl-5-oxopentan-2-yl]oxy-3-(5-amino-4,4-dimethyl-5-oxopentan-2-yl)oxypropoxy]-2,2,4-trimethylpentanoyl]amino]-2,2,4-trimethylpentyl]-3,3,5,5-tetramethylhexanamide

6-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-N-[4-[[4-[2-[5-[[5-[[6-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,3,5,5-tetramethylhexanoyl]amino]-2,4,4-trimethylpentan-2-yl]amino]-2,4,4-trimethyl-5-oxopentan-2-yl]oxy-3-(5-amino-4,4-dimethyl-5-oxopentan-2-yl)oxypropoxy]-2,2,4-trimethylpentanoyl]amino]-2,2,4-trimethylpentyl]-3,3,5,5-tetramethylhexanamide (PubChem CID 166930579) has the molecular formula C78H147N7O20 and a molecular weight of 1503.06 g/mol. Its IUPAC name is 6-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-N-[4-[[4-[2-[5-[[5-[[6-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,3,5,5-tetramethylhexanoyl]amino]-2,4,4-trimethylpentan-2-yl]amino]-2,4,4-trimethyl-5-oxopentan-2-yl]oxy-3-(5-amino-4,4-dimethyl-5-oxopentan-2-yl)oxypropoxy]-2,2,4-trimethylpentanoyl]amino]-2,2,4-trimethylpentyl]-3,3,5,5-tetramethylhexanamide.

Molecular Properties

Compound Name6-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-N-[4-[[4-[2-[5-[[5-[[6-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,3,5,5-tetramethylhexanoyl]amino]-2,4,4-trimethylpentan-2-yl]amino]-2,4,4-trimethyl-5-oxopentan-2-yl]oxy-3-(5-amino-4,4-dimethyl-5-oxopentan-2-yl)oxypropoxy]-2,2,4-trimethylpentanoyl]amino]-2,2,4-trimethylpentyl]-3,3,5,5-tetramethylhexanamide
PubChem CID166930579
Molecular FormulaC78H147N7O20
Molecular Weight1503.06 g/mol
Exact Mass1502.07
IUPAC Name6-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-N-[4-[[4-[2-[5-[[5-[[6-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,3,5,5-tetramethylhexanoyl]amino]-2,4,4-trimethylpentan-2-yl]amino]-2,4,4-trimethyl-5-oxopentan-2-yl]oxy-3-(5-amino-4,4-dimethyl-5-oxopentan-2-yl)oxypropoxy]-2,2,4-trimethylpentanoyl]amino]-2,2,4-trimethylpentyl]-3,3,5,5-tetramethylhexanamide
SMILESCC(=O)NC1C(OCC(C)(C)CC(C)(C)CC(=O)NCC(C)(C)CC(C)(C)NC(=O)C(C)(C)CC(C)(C)OCC(COC(C)CC(C)(C)C(N)=O)OC(C)(C)CC(C)(C)C(=O)NC(C)(C)CC(C)(C)CNC(=O)CC(C)(C)CC(C)(C)COC2OC(CO)C(O)C(O)C2NC(C)=O)OC(CO)C(O)C1O
InChIInChI=1S/C78H147N7O20/c1-47(30-72(16,17)63(79)96)99-35-50(105-78(28,29)42-74(20,21)65(98)85-76(24,25)40-69(10,11)44-81-54(91)32-67(6,7)38-71(14,15)46-101-62-56(83-49(3)89)60(95)58(93)52(34-87)104-62)36-102-77(26,27)41-73(18,19)64(97)84-75(22,23)39-68(8,9)43-80-53(90)31-66(4,5)37-70(12,13)45-100-61-55(82-48(2)88)59(94)57(92)51(33-86)103-61/h47,50-52,55-62,86-87,92-95H,30-46H2,1-29H3,(H2,79,96)(H,80,90)(H,81,91)(H,82,88)(H,83,89)(H,84,97)(H,85,98)
InChIKeyDGPWEGASDOEXGE-UHFFFAOYSA-N
XLogP6.53
TPSA403.68 Ų
H-Bond Donors13
H-Bond Acceptors20
Rotatable Bonds45
Heavy Atoms105
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001503.06
LogP ≤ 56.53
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1020

Analyze 6-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-N-[4-[[4-[2-[5-[[5-[[6-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,3,5,5-tetramethylhexanoyl]amino]-2,4,4-trimethylpentan-2-yl]amino]-2,4,4-trimethyl-5-oxopentan-2-yl]oxy-3-(5-amino-4,4-dimethyl-5-oxopentan-2-yl)oxypropoxy]-2,2,4-trimethylpentanoyl]amino]-2,2,4-trimethylpentyl]-3,3,5,5-tetramethylhexanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethoxy]-N-(4-acetamido-2,2,4-trimethylpentyl)acetamide
CID 167068659
N-[2-[(3S,5S)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]-3,3-dimethylbutanamide
CID 162475803
N-[(2S,4S,5R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[2-(methylamino)-3-oxobutoxy]oxan-3-yl]acetamide
CID 59751643
N-[(2R,3R,4R,5S,6R)-2-ethoxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
CID 7573789
3-[[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-4-hydroxy-2,5-dimethylhexanoic acid
CID 123920099
N-[(2R,3R,4S,5S,6S)-4,5-dihydroxy-6-(hydroxymethyl)-2-(3-methylbutoxy)oxan-3-yl]acetamide
CID 7154571
N-[(2R,4R,5R)-4,5-dihydroxy-6-(hydroxymethyl)-2-(3-oxobutoxy)oxan-3-yl]acetamide
CID 170539960
N-[(2S,3S,4R,5S,6R)-2-(2-aminoethoxy)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
CID 68989394
N,N'-bis[2-[2-[2-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethyl]-4-[3-[2-[2-[2-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethylamino]-3-oxopropyl]-4-[[5-oxo-5-[[2,2,4,4-tetramethyl-5-(3-methylcyclopentyl)oxypentyl]amino]pentanoyl]amino]heptanediamide
CID 154930067
N-[(2S,3S,4S,5S,6S)-4,5-dihydroxy-6-(hydroxymethyl)-2-propan-2-yloxyoxan-3-yl]acetamide
CID 7659073
N-[(2R,3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-propan-2-yloxyoxan-3-yl]acetamide
CID 7573802
N-[(2S,3R,4S,5S,6S)-4,5-dihydroxy-6-(hydroxymethyl)-2-propan-2-yloxyoxan-3-yl]acetamide
CID 7659071

Frequently Asked Questions

What is the IUPAC name of 6-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-N-[4-[[4-[2-[5-[[5-[[6-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,3,5,5-tetramethylhexanoyl]amino]-2,4,4-trimethylpentan-2-yl]amino]-2,4,4-trimethyl-5-oxopentan-2-yl]oxy-3-(5-amino-4,4-dimethyl-5-oxopentan-2-yl)oxypropoxy]-2,2,4-trimethylpentanoyl]amino]-2,2,4-trimethylpentyl]-3,3,5,5-tetramethylhexanamide?
The IUPAC name of 6-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-N-[4-[[4-[2-[5-[[5-[[6-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,3,5,5-tetramethylhexanoyl]amino]-2,4,4-trimethylpentan-2-yl]amino]-2,4,4-trimethyl-5-oxopentan-2-yl]oxy-3-(5-amino-4,4-dimethyl-5-oxopentan-2-yl)oxypropoxy]-2,2,4-trimethylpentanoyl]amino]-2,2,4-trimethylpentyl]-3,3,5,5-tetramethylhexanamide (CID 166930579) is 6-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-N-[4-[[4-[2-[5-[[5-[[6-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,3,5,5-tetramethylhexanoyl]amino]-2,4,4-trimethylpentan-2-yl]amino]-2,4,4-trimethyl-5-oxopentan-2-yl]oxy-3-(5-amino-4,4-dimethyl-5-oxopentan-2-yl)oxypropoxy]-2,2,4-trimethylpentanoyl]amino]-2,2,4-trimethylpentyl]-3,3,5,5-tetramethylhexanamide.
What is the SMILES notation for 6-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-N-[4-[[4-[2-[5-[[5-[[6-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,3,5,5-tetramethylhexanoyl]amino]-2,4,4-trimethylpentan-2-yl]amino]-2,4,4-trimethyl-5-oxopentan-2-yl]oxy-3-(5-amino-4,4-dimethyl-5-oxopentan-2-yl)oxypropoxy]-2,2,4-trimethylpentanoyl]amino]-2,2,4-trimethylpentyl]-3,3,5,5-tetramethylhexanamide?
The canonical SMILES for 6-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-N-[4-[[4-[2-[5-[[5-[[6-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,3,5,5-tetramethylhexanoyl]amino]-2,4,4-trimethylpentan-2-yl]amino]-2,4,4-trimethyl-5-oxopentan-2-yl]oxy-3-(5-amino-4,4-dimethyl-5-oxopentan-2-yl)oxypropoxy]-2,2,4-trimethylpentanoyl]amino]-2,2,4-trimethylpentyl]-3,3,5,5-tetramethylhexanamide is CC(=O)NC1C(OCC(C)(C)CC(C)(C)CC(=O)NCC(C)(C)CC(C)(C)NC(=O)C(C)(C)CC(C)(C)OCC(COC(C)CC(C)(C)C(N)=O)OC(C)(C)CC(C)(C)C(=O)NC(C)(C)CC(C)(C)CNC(=O)CC(C)(C)CC(C)(C)COC2OC(CO)C(O)C(O)C2NC(C)=O)OC(CO)C(O)C1O.
What is the InChIKey of 6-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-N-[4-[[4-[2-[5-[[5-[[6-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,3,5,5-tetramethylhexanoyl]amino]-2,4,4-trimethylpentan-2-yl]amino]-2,4,4-trimethyl-5-oxopentan-2-yl]oxy-3-(5-amino-4,4-dimethyl-5-oxopentan-2-yl)oxypropoxy]-2,2,4-trimethylpentanoyl]amino]-2,2,4-trimethylpentyl]-3,3,5,5-tetramethylhexanamide?
The InChIKey is DGPWEGASDOEXGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C78H147N7O20/c1-47(30-72(16,17)63(79)96)99-35-50(105-78(28,29)42-74(20,21)65(98)85-76(24,25)40-69(10,11)44-81-54(91)32-67(6,7)38-71(14,15)46-101-62-56(83-49(3)89)60(95)58(93)52(34-87)104-62)36-102-77(26,27)41-73(18,19)64(97)84-75(22,23)39-68(8,9)43-80-53(90)31-66(4,5)37-70(12,13)45-100-61-55(82-48(2)88)59(94)57(92)51(33-86)103-61/h47,50-52,55-62,86-87,92-95H,30-46H2,1-29H3,(H2,79,96)(H,80,90)(H,81,91)(H,82,88)(H,83,89)(H,84,97)(H,85,98).
What are the key properties of 6-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-N-[4-[[4-[2-[5-[[5-[[6-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,3,5,5-tetramethylhexanoyl]amino]-2,4,4-trimethylpentan-2-yl]amino]-2,4,4-trimethyl-5-oxopentan-2-yl]oxy-3-(5-amino-4,4-dimethyl-5-oxopentan-2-yl)oxypropoxy]-2,2,4-trimethylpentanoyl]amino]-2,2,4-trimethylpentyl]-3,3,5,5-tetramethylhexanamide?
6-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-N-[4-[[4-[2-[5-[[5-[[6-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,3,5,5-tetramethylhexanoyl]amino]-2,4,4-trimethylpentan-2-yl]amino]-2,4,4-trimethyl-5-oxopentan-2-yl]oxy-3-(5-amino-4,4-dimethyl-5-oxopentan-2-yl)oxypropoxy]-2,2,4-trimethylpentanoyl]amino]-2,2,4-trimethylpentyl]-3,3,5,5-tetramethylhexanamide has a molecular weight of 1503.06 g/mol, XLogP of 6.53, 45 rotatable bonds, 13 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-N-[4-[[4-[2-[5-[[5-[[6-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,3,5,5-tetramethylhexanoyl]amino]-2,4,4-trimethylpentan-2-yl]amino]-2,4,4-trimethyl-5-oxopentan-2-yl]oxy-3-(5-amino-4,4-dimethyl-5-oxopentan-2-yl)oxypropoxy]-2,2,4-trimethylpentanoyl]amino]-2,2,4-trimethylpentyl]-3,3,5,5-tetramethylhexanamide is sourced from PubChem (CID 166930579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).