[(2R,3R,5R)-5-[[(2R,4R,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4-dihydroxy-5-[[(2R,5S)-2,3,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]methoxy]oxolan-2-yl]methyl N-propylcarbamate;methanol

C24H45NO18 — CID 91444291

IUPAC[(2R,3R,5R)-5-[[(2R,4R,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4-dihydroxy-5-[[(2R,5S)-2,3,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]methoxy]oxolan-2-yl]methyl N-propylcarbamate;methanol
SMILESCCCNC(=O)OC[C@H]1O[C@@](CO[C@]2(CO)O[C@H](CO)[C@H](O)C2O)(OC[C@@]2(O)OC(CO)[C@@H](O)CC2O)C(O)[C@H]1O.CO
InChIInChI=1S/C23H41NO17.CH4O/c1-2-3-24-20(34)36-7-14-17(31)19(33)23(41-14,10-38-22(8-27)18(32)16(30)13(6-26)40-22)37-9-21(35)15(29)4-11(28)12(5-25)39-21;1-2/h11-19,25-33,35H,2-10H2,1H3,(H,24,34);2H,1H3/t11-,12?,13+,14+,15?,16-,17-,18?,19?,21+,22+,23+;/m0./s1
InChIKeyGHVRPJYHMLNXOJ-CYHNEALQSA-N
MW635.61 g/mol
LogP-6.43
Rot. Bonds13

About [(2R,3R,5R)-5-[[(2R,4R,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4-dihydroxy-5-[[(2R,5S)-2,3,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]methoxy]oxolan-2-yl]methyl N-propylcarbamate;methanol

[(2R,3R,5R)-5-[[(2R,4R,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4-dihydroxy-5-[[(2R,5S)-2,3,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]methoxy]oxolan-2-yl]methyl N-propylcarbamate;methanol (PubChem CID 91444291) has the molecular formula C24H45NO18 and a molecular weight of 635.61 g/mol. Its IUPAC name is [(2R,3R,5R)-5-[[(2R,4R,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4-dihydroxy-5-[[(2R,5S)-2,3,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]methoxy]oxolan-2-yl]methyl N-propylcarbamate;methanol.

Molecular Properties

Compound Name[(2R,3R,5R)-5-[[(2R,4R,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4-dihydroxy-5-[[(2R,5S)-2,3,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]methoxy]oxolan-2-yl]methyl N-propylcarbamate;methanol
PubChem CID91444291
Molecular FormulaC24H45NO18
Molecular Weight635.61 g/mol
Exact Mass635.26
IUPAC Name[(2R,3R,5R)-5-[[(2R,4R,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4-dihydroxy-5-[[(2R,5S)-2,3,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]methoxy]oxolan-2-yl]methyl N-propylcarbamate;methanol
SMILESCCCNC(=O)OC[C@H]1O[C@@](CO[C@]2(CO)O[C@H](CO)[C@H](O)C2O)(OC[C@@]2(O)OC(CO)[C@@H](O)CC2O)C(O)[C@H]1O.CO
InChIInChI=1S/C23H41NO17.CH4O/c1-2-3-24-20(34)36-7-14-17(31)19(33)23(41-14,10-38-22(8-27)18(32)16(30)13(6-26)40-22)37-9-21(35)15(29)4-11(28)12(5-25)39-21;1-2/h11-19,25-33,35H,2-10H2,1H3,(H,24,34);2H,1H3/t11-,12?,13+,14+,15?,16-,17-,18?,19?,21+,22+,23+;/m0./s1
InChIKeyGHVRPJYHMLNXOJ-CYHNEALQSA-N
XLogP-6.43
TPSA307.01 Ų
H-Bond Donors12
H-Bond Acceptors18
Rotatable Bonds13
Heavy Atoms43
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500635.61
LogP ≤ 5-6.43
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1018

Analyze [(2R,3R,5R)-5-[[(2R,4R,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4-dihydroxy-5-[[(2R,5S)-2,3,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]methoxy]oxolan-2-yl]methyl N-propylcarbamate;methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [(2R,3R,5R)-5-[[(2R,4R,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4-dihydroxy-5-[[(2R,5S)-2,3,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]methoxy]oxolan-2-yl]methyl N-propylcarbamate;methanol?
The IUPAC name of [(2R,3R,5R)-5-[[(2R,4R,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4-dihydroxy-5-[[(2R,5S)-2,3,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]methoxy]oxolan-2-yl]methyl N-propylcarbamate;methanol (CID 91444291) is [(2R,3R,5R)-5-[[(2R,4R,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4-dihydroxy-5-[[(2R,5S)-2,3,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]methoxy]oxolan-2-yl]methyl N-propylcarbamate;methanol.
What is the SMILES notation for [(2R,3R,5R)-5-[[(2R,4R,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4-dihydroxy-5-[[(2R,5S)-2,3,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]methoxy]oxolan-2-yl]methyl N-propylcarbamate;methanol?
The canonical SMILES for [(2R,3R,5R)-5-[[(2R,4R,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4-dihydroxy-5-[[(2R,5S)-2,3,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]methoxy]oxolan-2-yl]methyl N-propylcarbamate;methanol is CCCNC(=O)OC[C@H]1O[C@@](CO[C@]2(CO)O[C@H](CO)[C@H](O)C2O)(OC[C@@]2(O)OC(CO)[C@@H](O)CC2O)C(O)[C@H]1O.CO.
What is the InChIKey of [(2R,3R,5R)-5-[[(2R,4R,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4-dihydroxy-5-[[(2R,5S)-2,3,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]methoxy]oxolan-2-yl]methyl N-propylcarbamate;methanol?
The InChIKey is GHVRPJYHMLNXOJ-CYHNEALQSA-N. The full InChI is InChI=1S/C23H41NO17.CH4O/c1-2-3-24-20(34)36-7-14-17(31)19(33)23(41-14,10-38-22(8-27)18(32)16(30)13(6-26)40-22)37-9-21(35)15(29)4-11(28)12(5-25)39-21;1-2/h11-19,25-33,35H,2-10H2,1H3,(H,24,34);2H,1H3/t11-,12?,13+,14+,15?,16-,17-,18?,19?,21+,22+,23+;/m0./s1.
What are the key properties of [(2R,3R,5R)-5-[[(2R,4R,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4-dihydroxy-5-[[(2R,5S)-2,3,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]methoxy]oxolan-2-yl]methyl N-propylcarbamate;methanol?
[(2R,3R,5R)-5-[[(2R,4R,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4-dihydroxy-5-[[(2R,5S)-2,3,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]methoxy]oxolan-2-yl]methyl N-propylcarbamate;methanol has a molecular weight of 635.61 g/mol, XLogP of -6.43, 13 rotatable bonds, 12 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3R,5R)-5-[[(2R,4R,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4-dihydroxy-5-[[(2R,5S)-2,3,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]methoxy]oxolan-2-yl]methyl N-propylcarbamate;methanol is sourced from PubChem (CID 91444291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).