N-[[(2R,3R,4S,6R)-6-[(2S)-2,3-dihydroxypropyl]-3-(hydroxymethoxy)-4-methoxy-5,5-dimethyloxan-2-yl]methyl]-2-[(2R,5R,6R)-2-methoxy-5,6-dimethyl-4-methylideneoxan-2-yl]acetamide

C24H43NO9 — CID 89043077

IUPACN-[[(2R,3R,4S,6R)-6-[(2S)-2,3-dihydroxypropyl]-3-(hydroxymethoxy)-4-methoxy-5,5-dimethyloxan-2-yl]methyl]-2-[(2R,5R,6R)-2-methoxy-5,6-dimethyl-4-methylideneoxan-2-yl]acetamide
SMILESC=C1C[C@@](CC(=O)NC[C@H]2O[C@H](C[C@H](O)CO)C(C)(C)[C@H](OC)[C@H]2OCO)(OC)O[C@H](C)[C@@H]1C
InChIInChI=1S/C24H43NO9/c1-14-9-24(31-7,34-16(3)15(14)2)10-20(29)25-11-18-21(32-13-27)22(30-6)23(4,5)19(33-18)8-17(28)12-26/h15-19,21-22,26-28H,1,8-13H2,2-7H3,(H,25,29)/t15-,16-,17+,18-,19-,21+,22-,24-/m1/s1
InChIKeyPVGXDKWTJAYWED-OIFWGGTNSA-N
MW489.61 g/mol
LogP0.72
Rot. Bonds11

About N-[[(2R,3R,4S,6R)-6-[(2S)-2,3-dihydroxypropyl]-3-(hydroxymethoxy)-4-methoxy-5,5-dimethyloxan-2-yl]methyl]-2-[(2R,5R,6R)-2-methoxy-5,6-dimethyl-4-methylideneoxan-2-yl]acetamide

N-[[(2R,3R,4S,6R)-6-[(2S)-2,3-dihydroxypropyl]-3-(hydroxymethoxy)-4-methoxy-5,5-dimethyloxan-2-yl]methyl]-2-[(2R,5R,6R)-2-methoxy-5,6-dimethyl-4-methylideneoxan-2-yl]acetamide (PubChem CID 89043077) has the molecular formula C24H43NO9 and a molecular weight of 489.61 g/mol. Its IUPAC name is N-[[(2R,3R,4S,6R)-6-[(2S)-2,3-dihydroxypropyl]-3-(hydroxymethoxy)-4-methoxy-5,5-dimethyloxan-2-yl]methyl]-2-[(2R,5R,6R)-2-methoxy-5,6-dimethyl-4-methylideneoxan-2-yl]acetamide.

Molecular Properties

Compound NameN-[[(2R,3R,4S,6R)-6-[(2S)-2,3-dihydroxypropyl]-3-(hydroxymethoxy)-4-methoxy-5,5-dimethyloxan-2-yl]methyl]-2-[(2R,5R,6R)-2-methoxy-5,6-dimethyl-4-methylideneoxan-2-yl]acetamide
PubChem CID89043077
Molecular FormulaC24H43NO9
Molecular Weight489.61 g/mol
Exact Mass489.29
IUPAC NameN-[[(2R,3R,4S,6R)-6-[(2S)-2,3-dihydroxypropyl]-3-(hydroxymethoxy)-4-methoxy-5,5-dimethyloxan-2-yl]methyl]-2-[(2R,5R,6R)-2-methoxy-5,6-dimethyl-4-methylideneoxan-2-yl]acetamide
SMILESC=C1C[C@@](CC(=O)NC[C@H]2O[C@H](C[C@H](O)CO)C(C)(C)[C@H](OC)[C@H]2OCO)(OC)O[C@H](C)[C@@H]1C
InChIInChI=1S/C24H43NO9/c1-14-9-24(31-7,34-16(3)15(14)2)10-20(29)25-11-18-21(32-13-27)22(30-6)23(4,5)19(33-18)8-17(28)12-26/h15-19,21-22,26-28H,1,8-13H2,2-7H3,(H,25,29)/t15-,16-,17+,18-,19-,21+,22-,24-/m1/s1
InChIKeyPVGXDKWTJAYWED-OIFWGGTNSA-N
XLogP0.72
TPSA135.94 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.61
LogP ≤ 50.72
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[[(2R,3R,4S,6R)-6-[(2S)-2,3-dihydroxypropyl]-3-(hydroxymethoxy)-4-methoxy-5,5-dimethyloxan-2-yl]methyl]-2-[(2R,5R,6R)-2-methoxy-5,6-dimethyl-4-methylideneoxan-2-yl]acetamide?
The IUPAC name of N-[[(2R,3R,4S,6R)-6-[(2S)-2,3-dihydroxypropyl]-3-(hydroxymethoxy)-4-methoxy-5,5-dimethyloxan-2-yl]methyl]-2-[(2R,5R,6R)-2-methoxy-5,6-dimethyl-4-methylideneoxan-2-yl]acetamide (CID 89043077) is N-[[(2R,3R,4S,6R)-6-[(2S)-2,3-dihydroxypropyl]-3-(hydroxymethoxy)-4-methoxy-5,5-dimethyloxan-2-yl]methyl]-2-[(2R,5R,6R)-2-methoxy-5,6-dimethyl-4-methylideneoxan-2-yl]acetamide.
What is the SMILES notation for N-[[(2R,3R,4S,6R)-6-[(2S)-2,3-dihydroxypropyl]-3-(hydroxymethoxy)-4-methoxy-5,5-dimethyloxan-2-yl]methyl]-2-[(2R,5R,6R)-2-methoxy-5,6-dimethyl-4-methylideneoxan-2-yl]acetamide?
The canonical SMILES for N-[[(2R,3R,4S,6R)-6-[(2S)-2,3-dihydroxypropyl]-3-(hydroxymethoxy)-4-methoxy-5,5-dimethyloxan-2-yl]methyl]-2-[(2R,5R,6R)-2-methoxy-5,6-dimethyl-4-methylideneoxan-2-yl]acetamide is C=C1C[C@@](CC(=O)NC[C@H]2O[C@H](C[C@H](O)CO)C(C)(C)[C@H](OC)[C@H]2OCO)(OC)O[C@H](C)[C@@H]1C.
What is the InChIKey of N-[[(2R,3R,4S,6R)-6-[(2S)-2,3-dihydroxypropyl]-3-(hydroxymethoxy)-4-methoxy-5,5-dimethyloxan-2-yl]methyl]-2-[(2R,5R,6R)-2-methoxy-5,6-dimethyl-4-methylideneoxan-2-yl]acetamide?
The InChIKey is PVGXDKWTJAYWED-OIFWGGTNSA-N. The full InChI is InChI=1S/C24H43NO9/c1-14-9-24(31-7,34-16(3)15(14)2)10-20(29)25-11-18-21(32-13-27)22(30-6)23(4,5)19(33-18)8-17(28)12-26/h15-19,21-22,26-28H,1,8-13H2,2-7H3,(H,25,29)/t15-,16-,17+,18-,19-,21+,22-,24-/m1/s1.
What are the key properties of N-[[(2R,3R,4S,6R)-6-[(2S)-2,3-dihydroxypropyl]-3-(hydroxymethoxy)-4-methoxy-5,5-dimethyloxan-2-yl]methyl]-2-[(2R,5R,6R)-2-methoxy-5,6-dimethyl-4-methylideneoxan-2-yl]acetamide?
N-[[(2R,3R,4S,6R)-6-[(2S)-2,3-dihydroxypropyl]-3-(hydroxymethoxy)-4-methoxy-5,5-dimethyloxan-2-yl]methyl]-2-[(2R,5R,6R)-2-methoxy-5,6-dimethyl-4-methylideneoxan-2-yl]acetamide has a molecular weight of 489.61 g/mol, XLogP of 0.72, 11 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R,3R,4S,6R)-6-[(2S)-2,3-dihydroxypropyl]-3-(hydroxymethoxy)-4-methoxy-5,5-dimethyloxan-2-yl]methyl]-2-[(2R,5R,6R)-2-methoxy-5,6-dimethyl-4-methylideneoxan-2-yl]acetamide is sourced from PubChem (CID 89043077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).