(2R,6S)-N-[[(2S,6R)-5-acetamido-3,4-dimethyl-6-(methylcarbamoyl)oxan-2-yl]methyl]-6-(aminomethyl)-3,4,5-trimethyloxane-2-carboxamide;molecular hydrogen

C22H42N4O5 — CID 91087100

IUPAC(2R,6S)-N-[[(2S,6R)-5-acetamido-3,4-dimethyl-6-(methylcarbamoyl)oxan-2-yl]methyl]-6-(aminomethyl)-3,4,5-trimethyloxane-2-carboxamide;molecular hydrogen
SMILESCNC(=O)[C@@H]1O[C@H](CNC(=O)[C@@H]2O[C@H](CN)C(C)C(C)C2C)C(C)C(C)C1NC(C)=O.[H][H]
InChIInChI=1S/C22H40N4O5.H2/c1-10-11(2)16(8-23)30-19(14(10)5)22(29)25-9-17-12(3)13(4)18(26-15(6)27)20(31-17)21(28)24-7;/h10-14,16-20H,8-9,23H2,1-7H3,(H,24,28)(H,25,29)(H,26,27);1H/t10?,11?,12?,13?,14?,16-,17-,18?,19-,20-;/m1./s1
InChIKeyRSXVWMKSAQRACL-ZUPOYILESA-N
MW442.60 g/mol
LogP0.27
Rot. Bonds6

About (2R,6S)-N-[[(2S,6R)-5-acetamido-3,4-dimethyl-6-(methylcarbamoyl)oxan-2-yl]methyl]-6-(aminomethyl)-3,4,5-trimethyloxane-2-carboxamide;molecular hydrogen

(2R,6S)-N-[[(2S,6R)-5-acetamido-3,4-dimethyl-6-(methylcarbamoyl)oxan-2-yl]methyl]-6-(aminomethyl)-3,4,5-trimethyloxane-2-carboxamide;molecular hydrogen (PubChem CID 91087100) has the molecular formula C22H42N4O5 and a molecular weight of 442.60 g/mol. Its IUPAC name is (2R,6S)-N-[[(2S,6R)-5-acetamido-3,4-dimethyl-6-(methylcarbamoyl)oxan-2-yl]methyl]-6-(aminomethyl)-3,4,5-trimethyloxane-2-carboxamide;molecular hydrogen.

Molecular Properties

Compound Name(2R,6S)-N-[[(2S,6R)-5-acetamido-3,4-dimethyl-6-(methylcarbamoyl)oxan-2-yl]methyl]-6-(aminomethyl)-3,4,5-trimethyloxane-2-carboxamide;molecular hydrogen
PubChem CID91087100
Molecular FormulaC22H42N4O5
Molecular Weight442.60 g/mol
Exact Mass442.32
IUPAC Name(2R,6S)-N-[[(2S,6R)-5-acetamido-3,4-dimethyl-6-(methylcarbamoyl)oxan-2-yl]methyl]-6-(aminomethyl)-3,4,5-trimethyloxane-2-carboxamide;molecular hydrogen
SMILESCNC(=O)[C@@H]1O[C@H](CNC(=O)[C@@H]2O[C@H](CN)C(C)C(C)C2C)C(C)C(C)C1NC(C)=O.[H][H]
InChIInChI=1S/C22H40N4O5.H2/c1-10-11(2)16(8-23)30-19(14(10)5)22(29)25-9-17-12(3)13(4)18(26-15(6)27)20(31-17)21(28)24-7;/h10-14,16-20H,8-9,23H2,1-7H3,(H,24,28)(H,25,29)(H,26,27);1H/t10?,11?,12?,13?,14?,16-,17-,18?,19-,20-;/m1./s1
InChIKeyRSXVWMKSAQRACL-ZUPOYILESA-N
XLogP0.27
TPSA131.78 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.60
LogP ≤ 50.27
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2R,6S)-N-[[(2S,6R)-5-acetamido-3,4-dimethyl-6-(methylcarbamoyl)oxan-2-yl]methyl]-6-(aminomethyl)-3,4,5-trimethyloxane-2-carboxamide;molecular hydrogen?
The IUPAC name of (2R,6S)-N-[[(2S,6R)-5-acetamido-3,4-dimethyl-6-(methylcarbamoyl)oxan-2-yl]methyl]-6-(aminomethyl)-3,4,5-trimethyloxane-2-carboxamide;molecular hydrogen (CID 91087100) is (2R,6S)-N-[[(2S,6R)-5-acetamido-3,4-dimethyl-6-(methylcarbamoyl)oxan-2-yl]methyl]-6-(aminomethyl)-3,4,5-trimethyloxane-2-carboxamide;molecular hydrogen.
What is the SMILES notation for (2R,6S)-N-[[(2S,6R)-5-acetamido-3,4-dimethyl-6-(methylcarbamoyl)oxan-2-yl]methyl]-6-(aminomethyl)-3,4,5-trimethyloxane-2-carboxamide;molecular hydrogen?
The canonical SMILES for (2R,6S)-N-[[(2S,6R)-5-acetamido-3,4-dimethyl-6-(methylcarbamoyl)oxan-2-yl]methyl]-6-(aminomethyl)-3,4,5-trimethyloxane-2-carboxamide;molecular hydrogen is CNC(=O)[C@@H]1O[C@H](CNC(=O)[C@@H]2O[C@H](CN)C(C)C(C)C2C)C(C)C(C)C1NC(C)=O.[H][H].
What is the InChIKey of (2R,6S)-N-[[(2S,6R)-5-acetamido-3,4-dimethyl-6-(methylcarbamoyl)oxan-2-yl]methyl]-6-(aminomethyl)-3,4,5-trimethyloxane-2-carboxamide;molecular hydrogen?
The InChIKey is RSXVWMKSAQRACL-ZUPOYILESA-N. The full InChI is InChI=1S/C22H40N4O5.H2/c1-10-11(2)16(8-23)30-19(14(10)5)22(29)25-9-17-12(3)13(4)18(26-15(6)27)20(31-17)21(28)24-7;/h10-14,16-20H,8-9,23H2,1-7H3,(H,24,28)(H,25,29)(H,26,27);1H/t10?,11?,12?,13?,14?,16-,17-,18?,19-,20-;/m1./s1.
What are the key properties of (2R,6S)-N-[[(2S,6R)-5-acetamido-3,4-dimethyl-6-(methylcarbamoyl)oxan-2-yl]methyl]-6-(aminomethyl)-3,4,5-trimethyloxane-2-carboxamide;molecular hydrogen?
(2R,6S)-N-[[(2S,6R)-5-acetamido-3,4-dimethyl-6-(methylcarbamoyl)oxan-2-yl]methyl]-6-(aminomethyl)-3,4,5-trimethyloxane-2-carboxamide;molecular hydrogen has a molecular weight of 442.60 g/mol, XLogP of 0.27, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,6S)-N-[[(2S,6R)-5-acetamido-3,4-dimethyl-6-(methylcarbamoyl)oxan-2-yl]methyl]-6-(aminomethyl)-3,4,5-trimethyloxane-2-carboxamide;molecular hydrogen is sourced from PubChem (CID 91087100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).