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

C23H41NO18 — CID 58100164

IUPAC[(2R,4S,5R)-5-[[(2R,3S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4-dihydroxy-5-[[(2R,3S,5S)-2,3,4,5-tetrahydroxy-6-(hydroxymethyl)oxan-2-yl]methoxy]oxolan-2-yl]methyl N-propylcarbamate
SMILESCCCNC(=O)OC[C@H]1O[C@@](CO[C@]2(CO)O[C@H](CO)C(O)[C@@H]2O)(OC[C@@]2(O)OC(CO)[C@@H](O)C(O)[C@@H]2O)[C@@H](O)C1O
InChIInChI=1S/C23H41NO18/c1-2-3-24-20(35)37-6-12-15(30)19(34)23(42-12,9-39-22(7-27)18(33)14(29)11(5-26)41-22)38-8-21(36)17(32)16(31)13(28)10(4-25)40-21/h10-19,25-34,36H,2-9H2,1H3,(H,24,35)/t10?,11-,12-,13-,14?,15?,16?,17+,18+,19+,21-,22-,23-/m1/s1
InChIKeyPNHPWSDJOGTOIW-OCUFZTTBSA-N
MW619.57 g/mol
LogP-7.06
Rot. Bonds13

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

[(2R,4S,5R)-5-[[(2R,3S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4-dihydroxy-5-[[(2R,3S,5S)-2,3,4,5-tetrahydroxy-6-(hydroxymethyl)oxan-2-yl]methoxy]oxolan-2-yl]methyl N-propylcarbamate (PubChem CID 58100164) has the molecular formula C23H41NO18 and a molecular weight of 619.57 g/mol. Its IUPAC name is [(2R,4S,5R)-5-[[(2R,3S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4-dihydroxy-5-[[(2R,3S,5S)-2,3,4,5-tetrahydroxy-6-(hydroxymethyl)oxan-2-yl]methoxy]oxolan-2-yl]methyl N-propylcarbamate.

Molecular Properties

Compound Name[(2R,4S,5R)-5-[[(2R,3S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4-dihydroxy-5-[[(2R,3S,5S)-2,3,4,5-tetrahydroxy-6-(hydroxymethyl)oxan-2-yl]methoxy]oxolan-2-yl]methyl N-propylcarbamate
PubChem CID58100164
Molecular FormulaC23H41NO18
Molecular Weight619.57 g/mol
Exact Mass619.23
IUPAC Name[(2R,4S,5R)-5-[[(2R,3S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4-dihydroxy-5-[[(2R,3S,5S)-2,3,4,5-tetrahydroxy-6-(hydroxymethyl)oxan-2-yl]methoxy]oxolan-2-yl]methyl N-propylcarbamate
SMILESCCCNC(=O)OC[C@H]1O[C@@](CO[C@]2(CO)O[C@H](CO)C(O)[C@@H]2O)(OC[C@@]2(O)OC(CO)[C@@H](O)C(O)[C@@H]2O)[C@@H](O)C1O
InChIInChI=1S/C23H41NO18/c1-2-3-24-20(35)37-6-12-15(30)19(34)23(42-12,9-39-22(7-27)18(33)14(29)11(5-26)41-22)38-8-21(36)17(32)16(31)13(28)10(4-25)40-21/h10-19,25-34,36H,2-9H2,1H3,(H,24,35)/t10?,11-,12-,13-,14?,15?,16?,17+,18+,19+,21-,22-,23-/m1/s1
InChIKeyPNHPWSDJOGTOIW-OCUFZTTBSA-N
XLogP-7.06
TPSA307.01 Ų
H-Bond Donors12
H-Bond Acceptors18
Rotatable Bonds13
Heavy Atoms42
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500619.57
LogP ≤ 5-7.06
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1018

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

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Frequently Asked Questions

What is the IUPAC name of [(2R,4S,5R)-5-[[(2R,3S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4-dihydroxy-5-[[(2R,3S,5S)-2,3,4,5-tetrahydroxy-6-(hydroxymethyl)oxan-2-yl]methoxy]oxolan-2-yl]methyl N-propylcarbamate?
The IUPAC name of [(2R,4S,5R)-5-[[(2R,3S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4-dihydroxy-5-[[(2R,3S,5S)-2,3,4,5-tetrahydroxy-6-(hydroxymethyl)oxan-2-yl]methoxy]oxolan-2-yl]methyl N-propylcarbamate (CID 58100164) is [(2R,4S,5R)-5-[[(2R,3S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4-dihydroxy-5-[[(2R,3S,5S)-2,3,4,5-tetrahydroxy-6-(hydroxymethyl)oxan-2-yl]methoxy]oxolan-2-yl]methyl N-propylcarbamate.
What is the SMILES notation for [(2R,4S,5R)-5-[[(2R,3S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4-dihydroxy-5-[[(2R,3S,5S)-2,3,4,5-tetrahydroxy-6-(hydroxymethyl)oxan-2-yl]methoxy]oxolan-2-yl]methyl N-propylcarbamate?
The canonical SMILES for [(2R,4S,5R)-5-[[(2R,3S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4-dihydroxy-5-[[(2R,3S,5S)-2,3,4,5-tetrahydroxy-6-(hydroxymethyl)oxan-2-yl]methoxy]oxolan-2-yl]methyl N-propylcarbamate is CCCNC(=O)OC[C@H]1O[C@@](CO[C@]2(CO)O[C@H](CO)C(O)[C@@H]2O)(OC[C@@]2(O)OC(CO)[C@@H](O)C(O)[C@@H]2O)[C@@H](O)C1O.
What is the InChIKey of [(2R,4S,5R)-5-[[(2R,3S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4-dihydroxy-5-[[(2R,3S,5S)-2,3,4,5-tetrahydroxy-6-(hydroxymethyl)oxan-2-yl]methoxy]oxolan-2-yl]methyl N-propylcarbamate?
The InChIKey is PNHPWSDJOGTOIW-OCUFZTTBSA-N. The full InChI is InChI=1S/C23H41NO18/c1-2-3-24-20(35)37-6-12-15(30)19(34)23(42-12,9-39-22(7-27)18(33)14(29)11(5-26)41-22)38-8-21(36)17(32)16(31)13(28)10(4-25)40-21/h10-19,25-34,36H,2-9H2,1H3,(H,24,35)/t10?,11-,12-,13-,14?,15?,16?,17+,18+,19+,21-,22-,23-/m1/s1.
What are the key properties of [(2R,4S,5R)-5-[[(2R,3S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4-dihydroxy-5-[[(2R,3S,5S)-2,3,4,5-tetrahydroxy-6-(hydroxymethyl)oxan-2-yl]methoxy]oxolan-2-yl]methyl N-propylcarbamate?
[(2R,4S,5R)-5-[[(2R,3S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4-dihydroxy-5-[[(2R,3S,5S)-2,3,4,5-tetrahydroxy-6-(hydroxymethyl)oxan-2-yl]methoxy]oxolan-2-yl]methyl N-propylcarbamate has a molecular weight of 619.57 g/mol, XLogP of -7.06, 13 rotatable bonds, 12 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,4S,5R)-5-[[(2R,3S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4-dihydroxy-5-[[(2R,3S,5S)-2,3,4,5-tetrahydroxy-6-(hydroxymethyl)oxan-2-yl]methoxy]oxolan-2-yl]methyl N-propylcarbamate is sourced from PubChem (CID 58100164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).