N-[(1R,2S,3R,4R,5R)-3-hydroxy-2-[(2S,3R,4S,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6,8-dioxabicyclo[3.2.1]octan-4-yl]acetamide

C14H23NO10 — CID 12900920

IUPACN-[(1R,2S,3R,4R,5R)-3-hydroxy-2-[(2S,3R,4S,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6,8-dioxabicyclo[3.2.1]octan-4-yl]acetamide
SMILESCC(=O)N[C@H]1[C@@H]2OC[C@@H](O2)[C@@H](O[C@@H]2O[C@@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]1O
InChIInChI=1S/C14H23NO10/c1-4(17)15-7-9(19)12(6-3-22-13(7)24-6)25-14-11(21)10(20)8(18)5(2-16)23-14/h5-14,16,18-21H,2-3H2,1H3,(H,15,17)/t5-,6+,7+,8+,9+,10-,11+,12+,13+,14-/m0/s1
InChIKeyRVIOYSFRWMQXAB-GHZRPWSLSA-N
MW365.34 g/mol
LogP-4.21
Rot. Bonds4

About N-[(1R,2S,3R,4R,5R)-3-hydroxy-2-[(2S,3R,4S,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6,8-dioxabicyclo[3.2.1]octan-4-yl]acetamide

N-[(1R,2S,3R,4R,5R)-3-hydroxy-2-[(2S,3R,4S,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6,8-dioxabicyclo[3.2.1]octan-4-yl]acetamide (PubChem CID 12900920) has the molecular formula C14H23NO10 and a molecular weight of 365.34 g/mol. Its IUPAC name is N-[(1R,2S,3R,4R,5R)-3-hydroxy-2-[(2S,3R,4S,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6,8-dioxabicyclo[3.2.1]octan-4-yl]acetamide.

Molecular Properties

Compound NameN-[(1R,2S,3R,4R,5R)-3-hydroxy-2-[(2S,3R,4S,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6,8-dioxabicyclo[3.2.1]octan-4-yl]acetamide
PubChem CID12900920
Molecular FormulaC14H23NO10
Molecular Weight365.34 g/mol
Exact Mass365.13
IUPAC NameN-[(1R,2S,3R,4R,5R)-3-hydroxy-2-[(2S,3R,4S,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6,8-dioxabicyclo[3.2.1]octan-4-yl]acetamide
SMILESCC(=O)N[C@H]1[C@@H]2OC[C@@H](O2)[C@@H](O[C@@H]2O[C@@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]1O
InChIInChI=1S/C14H23NO10/c1-4(17)15-7-9(19)12(6-3-22-13(7)24-6)25-14-11(21)10(20)8(18)5(2-16)23-14/h5-14,16,18-21H,2-3H2,1H3,(H,15,17)/t5-,6+,7+,8+,9+,10-,11+,12+,13+,14-/m0/s1
InChIKeyRVIOYSFRWMQXAB-GHZRPWSLSA-N
XLogP-4.21
TPSA167.17 Ų
H-Bond Donors6
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.34
LogP ≤ 5-4.21
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1010

Analyze N-[(1R,2S,3R,4R,5R)-3-hydroxy-2-[(2S,3R,4S,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6,8-dioxabicyclo[3.2.1]octan-4-yl]acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(1R,2S,3R,4R,5R)-3-hydroxy-2-[(2S,3R,4S,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6,8-dioxabicyclo[3.2.1]octan-4-yl]acetamide?
The IUPAC name of N-[(1R,2S,3R,4R,5R)-3-hydroxy-2-[(2S,3R,4S,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6,8-dioxabicyclo[3.2.1]octan-4-yl]acetamide (CID 12900920) is N-[(1R,2S,3R,4R,5R)-3-hydroxy-2-[(2S,3R,4S,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6,8-dioxabicyclo[3.2.1]octan-4-yl]acetamide.
What is the SMILES notation for N-[(1R,2S,3R,4R,5R)-3-hydroxy-2-[(2S,3R,4S,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6,8-dioxabicyclo[3.2.1]octan-4-yl]acetamide?
The canonical SMILES for N-[(1R,2S,3R,4R,5R)-3-hydroxy-2-[(2S,3R,4S,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6,8-dioxabicyclo[3.2.1]octan-4-yl]acetamide is CC(=O)N[C@H]1[C@@H]2OC[C@@H](O2)[C@@H](O[C@@H]2O[C@@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]1O.
What is the InChIKey of N-[(1R,2S,3R,4R,5R)-3-hydroxy-2-[(2S,3R,4S,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6,8-dioxabicyclo[3.2.1]octan-4-yl]acetamide?
The InChIKey is RVIOYSFRWMQXAB-GHZRPWSLSA-N. The full InChI is InChI=1S/C14H23NO10/c1-4(17)15-7-9(19)12(6-3-22-13(7)24-6)25-14-11(21)10(20)8(18)5(2-16)23-14/h5-14,16,18-21H,2-3H2,1H3,(H,15,17)/t5-,6+,7+,8+,9+,10-,11+,12+,13+,14-/m0/s1.
What are the key properties of N-[(1R,2S,3R,4R,5R)-3-hydroxy-2-[(2S,3R,4S,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6,8-dioxabicyclo[3.2.1]octan-4-yl]acetamide?
N-[(1R,2S,3R,4R,5R)-3-hydroxy-2-[(2S,3R,4S,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6,8-dioxabicyclo[3.2.1]octan-4-yl]acetamide has a molecular weight of 365.34 g/mol, XLogP of -4.21, 4 rotatable bonds, 6 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2S,3R,4R,5R)-3-hydroxy-2-[(2S,3R,4S,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6,8-dioxabicyclo[3.2.1]octan-4-yl]acetamide is sourced from PubChem (CID 12900920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).