6-[2,3,4,5,6-pentahydroxyhexyl-[(3S)-pyrrolidin-3-yl]amino]hexane-1,2,3,4,5-pentol

C16H34N2O10 — CID 139580950

IUPAC6-[2,3,4,5,6-pentahydroxyhexyl-[(3S)-pyrrolidin-3-yl]amino]hexane-1,2,3,4,5-pentol
SMILESOCC(O)C(O)C(O)C(O)CN(CC(O)C(O)C(O)C(O)CO)[C@H]1CCNC1
InChIInChI=1S/C16H34N2O10/c19-6-11(23)15(27)13(25)9(21)4-18(8-1-2-17-3-8)5-10(22)14(26)16(28)12(24)7-20/h8-17,19-28H,1-7H2/t8-,9?,10?,11?,12?,13?,14?,15?,16?/m0/s1
InChIKeyRWNGZLADINGRPM-NXFPAFRJSA-N
MW414.45 g/mol
LogP-6.48
Rot. Bonds13

About 6-[2,3,4,5,6-pentahydroxyhexyl-[(3S)-pyrrolidin-3-yl]amino]hexane-1,2,3,4,5-pentol

6-[2,3,4,5,6-pentahydroxyhexyl-[(3S)-pyrrolidin-3-yl]amino]hexane-1,2,3,4,5-pentol (PubChem CID 139580950) has the molecular formula C16H34N2O10 and a molecular weight of 414.45 g/mol. Its IUPAC name is 6-[2,3,4,5,6-pentahydroxyhexyl-[(3S)-pyrrolidin-3-yl]amino]hexane-1,2,3,4,5-pentol.

Molecular Properties

Compound Name6-[2,3,4,5,6-pentahydroxyhexyl-[(3S)-pyrrolidin-3-yl]amino]hexane-1,2,3,4,5-pentol
PubChem CID139580950
Molecular FormulaC16H34N2O10
Molecular Weight414.45 g/mol
Exact Mass414.22
IUPAC Name6-[2,3,4,5,6-pentahydroxyhexyl-[(3S)-pyrrolidin-3-yl]amino]hexane-1,2,3,4,5-pentol
SMILESOCC(O)C(O)C(O)C(O)CN(CC(O)C(O)C(O)C(O)CO)[C@H]1CCNC1
InChIInChI=1S/C16H34N2O10/c19-6-11(23)15(27)13(25)9(21)4-18(8-1-2-17-3-8)5-10(22)14(26)16(28)12(24)7-20/h8-17,19-28H,1-7H2/t8-,9?,10?,11?,12?,13?,14?,15?,16?/m0/s1
InChIKeyRWNGZLADINGRPM-NXFPAFRJSA-N
XLogP-6.48
TPSA217.57 Ų
H-Bond Donors11
H-Bond Acceptors12
Rotatable Bonds13
Heavy Atoms28
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500414.45
LogP ≤ 5-6.48
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1012

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Related Compounds

6-[2,3,4,5,6-pentahydroxyhexyl(piperidin-4-yl)amino]hexane-1,2,3,4,5-pentol;dihydrochloride
CID 138560502
(3R,4S,5S)-6-[[(3S)-pyrrolidin-3-yl]-[(2S,3S,4R)-2,3,4,6-tetrahydroxyhexyl]amino]hexane-1,3,4,5-tetrol
CID 134560586
(3S)-N,N-diethylpyrrolidin-3-amine
CID 30722524
2-[methyl(pyrrolidin-3-yl)amino]propan-1-ol
CID 104556943
2-[ethyl(pyrrolidin-3-yl)amino]ethanol
CID 56831602
(2R,3R,4R,5S)-6-[[1-(2-aminoethyl)piperidin-4-yl]-[(2S)-2,3-dihydroxypropyl]amino]hexane-1,2,3,4,5-pentol
CID 138576842
(2S,3S,4S,5S)-hexane-1,2,3,4,5,6-hexol;(2R,3R,4R,5R)-hexane-1,2,3,4,5,6-hexol
CID 135394797
(2R,5S)-hexane-1,2,3,4,5,6-hexol
CID 88909362
(2R,3S,4S,5R)-hexane-1,2,3,4,5,6-hexol;(2R,3S,4R,5R)-hexane-1,2,3,4,5,6-hexol
CID 87912891
1-propan-2-yloxy-3-[propyl(pyrrolidin-3-yl)amino]propan-2-ol
CID 63990099
2-[2-hydroxyethyl(piperidin-3-yl)amino]ethanol
CID 79468041
(1R)-1-[(3R)-pyrrolidin-3-yl]ethane-1,2-diol
CID 55287714

Frequently Asked Questions

What is the IUPAC name of 6-[2,3,4,5,6-pentahydroxyhexyl-[(3S)-pyrrolidin-3-yl]amino]hexane-1,2,3,4,5-pentol?
The IUPAC name of 6-[2,3,4,5,6-pentahydroxyhexyl-[(3S)-pyrrolidin-3-yl]amino]hexane-1,2,3,4,5-pentol (CID 139580950) is 6-[2,3,4,5,6-pentahydroxyhexyl-[(3S)-pyrrolidin-3-yl]amino]hexane-1,2,3,4,5-pentol.
What is the SMILES notation for 6-[2,3,4,5,6-pentahydroxyhexyl-[(3S)-pyrrolidin-3-yl]amino]hexane-1,2,3,4,5-pentol?
The canonical SMILES for 6-[2,3,4,5,6-pentahydroxyhexyl-[(3S)-pyrrolidin-3-yl]amino]hexane-1,2,3,4,5-pentol is OCC(O)C(O)C(O)C(O)CN(CC(O)C(O)C(O)C(O)CO)[C@H]1CCNC1.
What is the InChIKey of 6-[2,3,4,5,6-pentahydroxyhexyl-[(3S)-pyrrolidin-3-yl]amino]hexane-1,2,3,4,5-pentol?
The InChIKey is RWNGZLADINGRPM-NXFPAFRJSA-N. The full InChI is InChI=1S/C16H34N2O10/c19-6-11(23)15(27)13(25)9(21)4-18(8-1-2-17-3-8)5-10(22)14(26)16(28)12(24)7-20/h8-17,19-28H,1-7H2/t8-,9?,10?,11?,12?,13?,14?,15?,16?/m0/s1.
What are the key properties of 6-[2,3,4,5,6-pentahydroxyhexyl-[(3S)-pyrrolidin-3-yl]amino]hexane-1,2,3,4,5-pentol?
6-[2,3,4,5,6-pentahydroxyhexyl-[(3S)-pyrrolidin-3-yl]amino]hexane-1,2,3,4,5-pentol has a molecular weight of 414.45 g/mol, XLogP of -6.48, 13 rotatable bonds, 11 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2,3,4,5,6-pentahydroxyhexyl-[(3S)-pyrrolidin-3-yl]amino]hexane-1,2,3,4,5-pentol is sourced from PubChem (CID 139580950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).