(2S)-N-[[(2S,4R,6R)-6-[(2S)-2,3-dimethoxypropyl]-4-methoxy-5,5-dimethyloxan-2-yl]methyl]-2-hydroxy-2-[(2R,5R,6R)-2-methoxy-5,6-dimethyloxan-2-yl]acetamide

C24H45NO8 — CID 56647343

IUPAC(2S)-N-[[(2S,4R,6R)-6-[(2S)-2,3-dimethoxypropyl]-4-methoxy-5,5-dimethyloxan-2-yl]methyl]-2-hydroxy-2-[(2R,5R,6R)-2-methoxy-5,6-dimethyloxan-2-yl]acetamide
SMILESCOC[C@H](C[C@H]1O[C@H](CNC(=O)[C@@H](O)[C@@]2(OC)CC[C@@H](C)[C@@H](C)O2)C[C@@H](OC)C1(C)C)OC
InChIInChI=1S/C24H45NO8/c1-15-9-10-24(31-8,33-16(15)2)21(26)22(27)25-13-17-11-19(30-7)23(3,4)20(32-17)12-18(29-6)14-28-5/h15-21,26H,9-14H2,1-8H3,(H,25,27)/t15-,16-,17+,18+,19-,20-,21-,24-/m1/s1
InChIKeyJNXRMSHSNDQJCP-CCRGPOILSA-N
MW475.62 g/mol
LogP1.89
Rot. Bonds11

About (2S)-N-[[(2S,4R,6R)-6-[(2S)-2,3-dimethoxypropyl]-4-methoxy-5,5-dimethyloxan-2-yl]methyl]-2-hydroxy-2-[(2R,5R,6R)-2-methoxy-5,6-dimethyloxan-2-yl]acetamide

(2S)-N-[[(2S,4R,6R)-6-[(2S)-2,3-dimethoxypropyl]-4-methoxy-5,5-dimethyloxan-2-yl]methyl]-2-hydroxy-2-[(2R,5R,6R)-2-methoxy-5,6-dimethyloxan-2-yl]acetamide (PubChem CID 56647343) has the molecular formula C24H45NO8 and a molecular weight of 475.62 g/mol. Its IUPAC name is (2S)-N-[[(2S,4R,6R)-6-[(2S)-2,3-dimethoxypropyl]-4-methoxy-5,5-dimethyloxan-2-yl]methyl]-2-hydroxy-2-[(2R,5R,6R)-2-methoxy-5,6-dimethyloxan-2-yl]acetamide.

Molecular Properties

Compound Name(2S)-N-[[(2S,4R,6R)-6-[(2S)-2,3-dimethoxypropyl]-4-methoxy-5,5-dimethyloxan-2-yl]methyl]-2-hydroxy-2-[(2R,5R,6R)-2-methoxy-5,6-dimethyloxan-2-yl]acetamide
PubChem CID56647343
Molecular FormulaC24H45NO8
Molecular Weight475.62 g/mol
Exact Mass475.31
IUPAC Name(2S)-N-[[(2S,4R,6R)-6-[(2S)-2,3-dimethoxypropyl]-4-methoxy-5,5-dimethyloxan-2-yl]methyl]-2-hydroxy-2-[(2R,5R,6R)-2-methoxy-5,6-dimethyloxan-2-yl]acetamide
SMILESCOC[C@H](C[C@H]1O[C@H](CNC(=O)[C@@H](O)[C@@]2(OC)CC[C@@H](C)[C@@H](C)O2)C[C@@H](OC)C1(C)C)OC
InChIInChI=1S/C24H45NO8/c1-15-9-10-24(31-8,33-16(15)2)21(26)22(27)25-13-17-11-19(30-7)23(3,4)20(32-17)12-18(29-6)14-28-5/h15-21,26H,9-14H2,1-8H3,(H,25,27)/t15-,16-,17+,18+,19-,20-,21-,24-/m1/s1
InChIKeyJNXRMSHSNDQJCP-CCRGPOILSA-N
XLogP1.89
TPSA104.71 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.62
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze (2S)-N-[[(2S,4R,6R)-6-[(2S)-2,3-dimethoxypropyl]-4-methoxy-5,5-dimethyloxan-2-yl]methyl]-2-hydroxy-2-[(2R,5R,6R)-2-methoxy-5,6-dimethyloxan-2-yl]acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-[[(2S,4R,6R)-6-[(2S)-2,3-dimethoxypropyl]-4-methoxy-5,5-dimethyloxan-2-yl]methyl]-2-hydroxy-2-[(2R,5R,6R)-2-methoxy-5,6-dimethyloxan-2-yl]acetamide?
The IUPAC name of (2S)-N-[[(2S,4R,6R)-6-[(2S)-2,3-dimethoxypropyl]-4-methoxy-5,5-dimethyloxan-2-yl]methyl]-2-hydroxy-2-[(2R,5R,6R)-2-methoxy-5,6-dimethyloxan-2-yl]acetamide (CID 56647343) is (2S)-N-[[(2S,4R,6R)-6-[(2S)-2,3-dimethoxypropyl]-4-methoxy-5,5-dimethyloxan-2-yl]methyl]-2-hydroxy-2-[(2R,5R,6R)-2-methoxy-5,6-dimethyloxan-2-yl]acetamide.
What is the SMILES notation for (2S)-N-[[(2S,4R,6R)-6-[(2S)-2,3-dimethoxypropyl]-4-methoxy-5,5-dimethyloxan-2-yl]methyl]-2-hydroxy-2-[(2R,5R,6R)-2-methoxy-5,6-dimethyloxan-2-yl]acetamide?
The canonical SMILES for (2S)-N-[[(2S,4R,6R)-6-[(2S)-2,3-dimethoxypropyl]-4-methoxy-5,5-dimethyloxan-2-yl]methyl]-2-hydroxy-2-[(2R,5R,6R)-2-methoxy-5,6-dimethyloxan-2-yl]acetamide is COC[C@H](C[C@H]1O[C@H](CNC(=O)[C@@H](O)[C@@]2(OC)CC[C@@H](C)[C@@H](C)O2)C[C@@H](OC)C1(C)C)OC.
What is the InChIKey of (2S)-N-[[(2S,4R,6R)-6-[(2S)-2,3-dimethoxypropyl]-4-methoxy-5,5-dimethyloxan-2-yl]methyl]-2-hydroxy-2-[(2R,5R,6R)-2-methoxy-5,6-dimethyloxan-2-yl]acetamide?
The InChIKey is JNXRMSHSNDQJCP-CCRGPOILSA-N. The full InChI is InChI=1S/C24H45NO8/c1-15-9-10-24(31-8,33-16(15)2)21(26)22(27)25-13-17-11-19(30-7)23(3,4)20(32-17)12-18(29-6)14-28-5/h15-21,26H,9-14H2,1-8H3,(H,25,27)/t15-,16-,17+,18+,19-,20-,21-,24-/m1/s1.
What are the key properties of (2S)-N-[[(2S,4R,6R)-6-[(2S)-2,3-dimethoxypropyl]-4-methoxy-5,5-dimethyloxan-2-yl]methyl]-2-hydroxy-2-[(2R,5R,6R)-2-methoxy-5,6-dimethyloxan-2-yl]acetamide?
(2S)-N-[[(2S,4R,6R)-6-[(2S)-2,3-dimethoxypropyl]-4-methoxy-5,5-dimethyloxan-2-yl]methyl]-2-hydroxy-2-[(2R,5R,6R)-2-methoxy-5,6-dimethyloxan-2-yl]acetamide has a molecular weight of 475.62 g/mol, XLogP of 1.89, 11 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[[(2S,4R,6R)-6-[(2S)-2,3-dimethoxypropyl]-4-methoxy-5,5-dimethyloxan-2-yl]methyl]-2-hydroxy-2-[(2R,5R,6R)-2-methoxy-5,6-dimethyloxan-2-yl]acetamide is sourced from PubChem (CID 56647343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).