(2R,3R,4R,5R)-4,5,6,6-tetrakis[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-5,6-bis[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]hexane-1,2,3,4-tetrol

C42H74O36 — CID 54083616

IUPAC(2R,3R,4R,5R)-4,5,6,6-tetrakis[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-5,6-bis[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]hexane-1,2,3,4-tetrol
SMILESOC[C@@H](O)[C@@H](O)[C@@](O)([C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)([C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)([C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C42H74O36/c43-1-8(50)33(69)40(70,34-27(63)21(57)15(51)9(2-44)71-34)42(37-30(66)24(60)18(54)12(5-47)74-37,78-39-32(68)26(62)20(56)14(7-49)76-39)41(35-28(64)22(58)16(52)10(3-45)72-35,36-29(65)23(59)17(53)11(4-46)73-36)77-38-31(67)25(61)19(55)13(6-48)75-38/h8-39,43-70H,1-7H2/t8-,9-,10-,11-,12-,13-,14-,15-,16-,17-,18-,19-,20-,21+,22+,23+,24+,25+,26+,27-,28-,29-,30-,31-,32-,33-,34-,35-,36-,37-,38+,39+,40-,42-/m1/s1
InChIKeyMOWCVFFRHWMZSE-PLJRTNEQSA-N
MW1155.02 g/mol
LogP-19.09
Rot. Bonds19

About (2R,3R,4R,5R)-4,5,6,6-tetrakis[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-5,6-bis[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]hexane-1,2,3,4-tetrol

(2R,3R,4R,5R)-4,5,6,6-tetrakis[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-5,6-bis[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]hexane-1,2,3,4-tetrol (PubChem CID 54083616) has the molecular formula C42H74O36 and a molecular weight of 1155.02 g/mol. Its IUPAC name is (2R,3R,4R,5R)-4,5,6,6-tetrakis[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-5,6-bis[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]hexane-1,2,3,4-tetrol.

Molecular Properties

Compound Name(2R,3R,4R,5R)-4,5,6,6-tetrakis[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-5,6-bis[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]hexane-1,2,3,4-tetrol
PubChem CID54083616
Molecular FormulaC42H74O36
Molecular Weight1155.02 g/mol
Exact Mass1154.40
IUPAC Name(2R,3R,4R,5R)-4,5,6,6-tetrakis[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-5,6-bis[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]hexane-1,2,3,4-tetrol
SMILESOC[C@@H](O)[C@@H](O)[C@@](O)([C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)([C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)([C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C42H74O36/c43-1-8(50)33(69)40(70,34-27(63)21(57)15(51)9(2-44)71-34)42(37-30(66)24(60)18(54)12(5-47)74-37,78-39-32(68)26(62)20(56)14(7-49)76-39)41(35-28(64)22(58)16(52)10(3-45)72-35,36-29(65)23(59)17(53)11(4-46)73-36)77-38-31(67)25(61)19(55)13(6-48)75-38/h8-39,43-70H,1-7H2/t8-,9-,10-,11-,12-,13-,14-,15-,16-,17-,18-,19-,20-,21+,22+,23+,24+,25+,26+,27-,28-,29-,30-,31-,32-,33-,34-,35-,36-,37-,38+,39+,40-,42-/m1/s1
InChIKeyMOWCVFFRHWMZSE-PLJRTNEQSA-N
XLogP-19.09
TPSA640.28 Ų
H-Bond Donors28
H-Bond Acceptors36
Rotatable Bonds19
Heavy Atoms78
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001155.02
LogP ≤ 5-19.09
H-Bond Donors ≤ 528
H-Bond Acceptors ≤ 1036

Analyze (2R,3R,4R,5R)-4,5,6,6-tetrakis[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-5,6-bis[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]hexane-1,2,3,4-tetrol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2R,3R,4R,5R)-4,5,6,6-tetrakis[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-5,6-bis[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]hexane-1,2,3,4-tetrol?
The IUPAC name of (2R,3R,4R,5R)-4,5,6,6-tetrakis[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-5,6-bis[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]hexane-1,2,3,4-tetrol (CID 54083616) is (2R,3R,4R,5R)-4,5,6,6-tetrakis[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-5,6-bis[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]hexane-1,2,3,4-tetrol.
What is the SMILES notation for (2R,3R,4R,5R)-4,5,6,6-tetrakis[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-5,6-bis[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]hexane-1,2,3,4-tetrol?
The canonical SMILES for (2R,3R,4R,5R)-4,5,6,6-tetrakis[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-5,6-bis[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]hexane-1,2,3,4-tetrol is OC[C@@H](O)[C@@H](O)[C@@](O)([C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)([C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)([C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O.
What is the InChIKey of (2R,3R,4R,5R)-4,5,6,6-tetrakis[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-5,6-bis[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]hexane-1,2,3,4-tetrol?
The InChIKey is MOWCVFFRHWMZSE-PLJRTNEQSA-N. The full InChI is InChI=1S/C42H74O36/c43-1-8(50)33(69)40(70,34-27(63)21(57)15(51)9(2-44)71-34)42(37-30(66)24(60)18(54)12(5-47)74-37,78-39-32(68)26(62)20(56)14(7-49)76-39)41(35-28(64)22(58)16(52)10(3-45)72-35,36-29(65)23(59)17(53)11(4-46)73-36)77-38-31(67)25(61)19(55)13(6-48)75-38/h8-39,43-70H,1-7H2/t8-,9-,10-,11-,12-,13-,14-,15-,16-,17-,18-,19-,20-,21+,22+,23+,24+,25+,26+,27-,28-,29-,30-,31-,32-,33-,34-,35-,36-,37-,38+,39+,40-,42-/m1/s1.
What are the key properties of (2R,3R,4R,5R)-4,5,6,6-tetrakis[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-5,6-bis[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]hexane-1,2,3,4-tetrol?
(2R,3R,4R,5R)-4,5,6,6-tetrakis[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-5,6-bis[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]hexane-1,2,3,4-tetrol has a molecular weight of 1155.02 g/mol, XLogP of -19.09, 19 rotatable bonds, 28 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4R,5R)-4,5,6,6-tetrakis[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-5,6-bis[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]hexane-1,2,3,4-tetrol is sourced from PubChem (CID 54083616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).