(2S)-N-[(1R)-1-[(2S,4R,6R)-6-[(2S)-2,3-dimethoxypropyl]-4-methoxy-5,5-dimethyloxan-2-yl]ethyl]-2-hydroxy-2-[(2R,5R,6R)-2-methoxy-5,6-dimethyloxan-2-yl]acetamide

C25H47NO8 — CID 56647401

IUPAC(2S)-N-[(1R)-1-[(2S,4R,6R)-6-[(2S)-2,3-dimethoxypropyl]-4-methoxy-5,5-dimethyloxan-2-yl]ethyl]-2-hydroxy-2-[(2R,5R,6R)-2-methoxy-5,6-dimethyloxan-2-yl]acetamide
SMILESCOC[C@H](C[C@H]1O[C@H]([C@@H](C)NC(=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/C25H47NO8/c1-15-10-11-25(32-9,34-17(15)3)22(27)23(28)26-16(2)19-13-20(31-8)24(4,5)21(33-19)12-18(30-7)14-29-6/h15-22,27H,10-14H2,1-9H3,(H,26,28)/t15-,16-,17-,18+,19+,20-,21-,22-,25-/m1/s1
InChIKeyKIZFACQFMASSQP-YEGYYQPVSA-N
MW489.65 g/mol
LogP2.28
Rot. Bonds11

About (2S)-N-[(1R)-1-[(2S,4R,6R)-6-[(2S)-2,3-dimethoxypropyl]-4-methoxy-5,5-dimethyloxan-2-yl]ethyl]-2-hydroxy-2-[(2R,5R,6R)-2-methoxy-5,6-dimethyloxan-2-yl]acetamide

(2S)-N-[(1R)-1-[(2S,4R,6R)-6-[(2S)-2,3-dimethoxypropyl]-4-methoxy-5,5-dimethyloxan-2-yl]ethyl]-2-hydroxy-2-[(2R,5R,6R)-2-methoxy-5,6-dimethyloxan-2-yl]acetamide (PubChem CID 56647401) has the molecular formula C25H47NO8 and a molecular weight of 489.65 g/mol. Its IUPAC name is (2S)-N-[(1R)-1-[(2S,4R,6R)-6-[(2S)-2,3-dimethoxypropyl]-4-methoxy-5,5-dimethyloxan-2-yl]ethyl]-2-hydroxy-2-[(2R,5R,6R)-2-methoxy-5,6-dimethyloxan-2-yl]acetamide.

Molecular Properties

Compound Name(2S)-N-[(1R)-1-[(2S,4R,6R)-6-[(2S)-2,3-dimethoxypropyl]-4-methoxy-5,5-dimethyloxan-2-yl]ethyl]-2-hydroxy-2-[(2R,5R,6R)-2-methoxy-5,6-dimethyloxan-2-yl]acetamide
PubChem CID56647401
Molecular FormulaC25H47NO8
Molecular Weight489.65 g/mol
Exact Mass489.33
IUPAC Name(2S)-N-[(1R)-1-[(2S,4R,6R)-6-[(2S)-2,3-dimethoxypropyl]-4-methoxy-5,5-dimethyloxan-2-yl]ethyl]-2-hydroxy-2-[(2R,5R,6R)-2-methoxy-5,6-dimethyloxan-2-yl]acetamide
SMILESCOC[C@H](C[C@H]1O[C@H]([C@@H](C)NC(=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/C25H47NO8/c1-15-10-11-25(32-9,34-17(15)3)22(27)23(28)26-16(2)19-13-20(31-8)24(4,5)21(33-19)12-18(30-7)14-29-6/h15-22,27H,10-14H2,1-9H3,(H,26,28)/t15-,16-,17-,18+,19+,20-,21-,22-,25-/m1/s1
InChIKeyKIZFACQFMASSQP-YEGYYQPVSA-N
XLogP2.28
TPSA104.71 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.65
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze (2S)-N-[(1R)-1-[(2S,4R,6R)-6-[(2S)-2,3-dimethoxypropyl]-4-methoxy-5,5-dimethyloxan-2-yl]ethyl]-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-[(1R)-1-[(2S,4R,6R)-6-[(2S)-2,3-dimethoxypropyl]-4-methoxy-5,5-dimethyloxan-2-yl]ethyl]-2-hydroxy-2-[(2R,5R,6R)-2-methoxy-5,6-dimethyloxan-2-yl]acetamide?
The IUPAC name of (2S)-N-[(1R)-1-[(2S,4R,6R)-6-[(2S)-2,3-dimethoxypropyl]-4-methoxy-5,5-dimethyloxan-2-yl]ethyl]-2-hydroxy-2-[(2R,5R,6R)-2-methoxy-5,6-dimethyloxan-2-yl]acetamide (CID 56647401) is (2S)-N-[(1R)-1-[(2S,4R,6R)-6-[(2S)-2,3-dimethoxypropyl]-4-methoxy-5,5-dimethyloxan-2-yl]ethyl]-2-hydroxy-2-[(2R,5R,6R)-2-methoxy-5,6-dimethyloxan-2-yl]acetamide.
What is the SMILES notation for (2S)-N-[(1R)-1-[(2S,4R,6R)-6-[(2S)-2,3-dimethoxypropyl]-4-methoxy-5,5-dimethyloxan-2-yl]ethyl]-2-hydroxy-2-[(2R,5R,6R)-2-methoxy-5,6-dimethyloxan-2-yl]acetamide?
The canonical SMILES for (2S)-N-[(1R)-1-[(2S,4R,6R)-6-[(2S)-2,3-dimethoxypropyl]-4-methoxy-5,5-dimethyloxan-2-yl]ethyl]-2-hydroxy-2-[(2R,5R,6R)-2-methoxy-5,6-dimethyloxan-2-yl]acetamide is COC[C@H](C[C@H]1O[C@H]([C@@H](C)NC(=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-[(1R)-1-[(2S,4R,6R)-6-[(2S)-2,3-dimethoxypropyl]-4-methoxy-5,5-dimethyloxan-2-yl]ethyl]-2-hydroxy-2-[(2R,5R,6R)-2-methoxy-5,6-dimethyloxan-2-yl]acetamide?
The InChIKey is KIZFACQFMASSQP-YEGYYQPVSA-N. The full InChI is InChI=1S/C25H47NO8/c1-15-10-11-25(32-9,34-17(15)3)22(27)23(28)26-16(2)19-13-20(31-8)24(4,5)21(33-19)12-18(30-7)14-29-6/h15-22,27H,10-14H2,1-9H3,(H,26,28)/t15-,16-,17-,18+,19+,20-,21-,22-,25-/m1/s1.
What are the key properties of (2S)-N-[(1R)-1-[(2S,4R,6R)-6-[(2S)-2,3-dimethoxypropyl]-4-methoxy-5,5-dimethyloxan-2-yl]ethyl]-2-hydroxy-2-[(2R,5R,6R)-2-methoxy-5,6-dimethyloxan-2-yl]acetamide?
(2S)-N-[(1R)-1-[(2S,4R,6R)-6-[(2S)-2,3-dimethoxypropyl]-4-methoxy-5,5-dimethyloxan-2-yl]ethyl]-2-hydroxy-2-[(2R,5R,6R)-2-methoxy-5,6-dimethyloxan-2-yl]acetamide has a molecular weight of 489.65 g/mol, XLogP of 2.28, 11 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(1R)-1-[(2S,4R,6R)-6-[(2S)-2,3-dimethoxypropyl]-4-methoxy-5,5-dimethyloxan-2-yl]ethyl]-2-hydroxy-2-[(2R,5R,6R)-2-methoxy-5,6-dimethyloxan-2-yl]acetamide is sourced from PubChem (CID 56647401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).