(2R,3S,4R,5R)-10-[[6-[[3,5-dihydroxy-6-propan-2-yl-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methoxy]-3,4,5-trihydroxyoxan-2-yl]methoxy]decane-1,2,3,4,5-pentol

C31H58O20 — CID 147829829

IUPAC(2R,3S,4R,5R)-10-[[6-[[3,5-dihydroxy-6-propan-2-yl-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methoxy]-3,4,5-trihydroxyoxan-2-yl]methoxy]decane-1,2,3,4,5-pentol
SMILESCC(C)C1OC(COC2OC(COCCCCC[C@@H](O)[C@@H](O)[C@@H](O)[C@H](O)CO)C(O)C(O)C2O)C(O)C(OC2OC(CO)C(O)C(O)C2O)C1O
InChIInChI=1S/C31H58O20/c1-12(2)28-27(45)29(51-31-26(44)23(41)20(38)15(9-33)49-31)22(40)17(48-28)11-47-30-25(43)24(42)21(39)16(50-30)10-46-7-5-3-4-6-13(34)18(36)19(37)14(35)8-32/h12-45H,3-11H2,1-2H3/t13-,14-,15?,16?,17?,18-,19+,20?,21?,22?,23?,24?,25?,26?,27?,28?,29?,30?,31?/m1/s1
InChIKeyHQWKSIZKQSWCSC-VGNQTZRTSA-N
MW750.78 g/mol
LogP-6.85
Rot. Bonds19

About (2R,3S,4R,5R)-10-[[6-[[3,5-dihydroxy-6-propan-2-yl-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methoxy]-3,4,5-trihydroxyoxan-2-yl]methoxy]decane-1,2,3,4,5-pentol

(2R,3S,4R,5R)-10-[[6-[[3,5-dihydroxy-6-propan-2-yl-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methoxy]-3,4,5-trihydroxyoxan-2-yl]methoxy]decane-1,2,3,4,5-pentol (PubChem CID 147829829) has the molecular formula C31H58O20 and a molecular weight of 750.78 g/mol. Its IUPAC name is (2R,3S,4R,5R)-10-[[6-[[3,5-dihydroxy-6-propan-2-yl-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methoxy]-3,4,5-trihydroxyoxan-2-yl]methoxy]decane-1,2,3,4,5-pentol.

Molecular Properties

Compound Name(2R,3S,4R,5R)-10-[[6-[[3,5-dihydroxy-6-propan-2-yl-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methoxy]-3,4,5-trihydroxyoxan-2-yl]methoxy]decane-1,2,3,4,5-pentol
PubChem CID147829829
Molecular FormulaC31H58O20
Molecular Weight750.78 g/mol
Exact Mass750.35
IUPAC Name(2R,3S,4R,5R)-10-[[6-[[3,5-dihydroxy-6-propan-2-yl-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methoxy]-3,4,5-trihydroxyoxan-2-yl]methoxy]decane-1,2,3,4,5-pentol
SMILESCC(C)C1OC(COC2OC(COCCCCC[C@@H](O)[C@@H](O)[C@@H](O)[C@H](O)CO)C(O)C(O)C2O)C(O)C(OC2OC(CO)C(O)C(O)C2O)C1O
InChIInChI=1S/C31H58O20/c1-12(2)28-27(45)29(51-31-26(44)23(41)20(38)15(9-33)49-31)22(40)17(48-28)11-47-30-25(43)24(42)21(39)16(50-30)10-46-7-5-3-4-6-13(34)18(36)19(37)14(35)8-32/h12-45H,3-11H2,1-2H3/t13-,14-,15?,16?,17?,18-,19+,20?,21?,22?,23?,24?,25?,26?,27?,28?,29?,30?,31?/m1/s1
InChIKeyHQWKSIZKQSWCSC-VGNQTZRTSA-N
XLogP-6.85
TPSA338.60 Ų
H-Bond Donors14
H-Bond Acceptors20
Rotatable Bonds19
Heavy Atoms51
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500750.78
LogP ≤ 5-6.85
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze (2R,3S,4R,5R)-10-[[6-[[3,5-dihydroxy-6-propan-2-yl-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methoxy]-3,4,5-trihydroxyoxan-2-yl]methoxy]decane-1,2,3,4,5-pentol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2R,3S,4R,5R)-10-[[6-[[3,5-dihydroxy-6-propan-2-yl-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methoxy]-3,4,5-trihydroxyoxan-2-yl]methoxy]decane-1,2,3,4,5-pentol?
The IUPAC name of (2R,3S,4R,5R)-10-[[6-[[3,5-dihydroxy-6-propan-2-yl-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methoxy]-3,4,5-trihydroxyoxan-2-yl]methoxy]decane-1,2,3,4,5-pentol (CID 147829829) is (2R,3S,4R,5R)-10-[[6-[[3,5-dihydroxy-6-propan-2-yl-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methoxy]-3,4,5-trihydroxyoxan-2-yl]methoxy]decane-1,2,3,4,5-pentol.
What is the SMILES notation for (2R,3S,4R,5R)-10-[[6-[[3,5-dihydroxy-6-propan-2-yl-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methoxy]-3,4,5-trihydroxyoxan-2-yl]methoxy]decane-1,2,3,4,5-pentol?
The canonical SMILES for (2R,3S,4R,5R)-10-[[6-[[3,5-dihydroxy-6-propan-2-yl-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methoxy]-3,4,5-trihydroxyoxan-2-yl]methoxy]decane-1,2,3,4,5-pentol is CC(C)C1OC(COC2OC(COCCCCC[C@@H](O)[C@@H](O)[C@@H](O)[C@H](O)CO)C(O)C(O)C2O)C(O)C(OC2OC(CO)C(O)C(O)C2O)C1O.
What is the InChIKey of (2R,3S,4R,5R)-10-[[6-[[3,5-dihydroxy-6-propan-2-yl-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methoxy]-3,4,5-trihydroxyoxan-2-yl]methoxy]decane-1,2,3,4,5-pentol?
The InChIKey is HQWKSIZKQSWCSC-VGNQTZRTSA-N. The full InChI is InChI=1S/C31H58O20/c1-12(2)28-27(45)29(51-31-26(44)23(41)20(38)15(9-33)49-31)22(40)17(48-28)11-47-30-25(43)24(42)21(39)16(50-30)10-46-7-5-3-4-6-13(34)18(36)19(37)14(35)8-32/h12-45H,3-11H2,1-2H3/t13-,14-,15?,16?,17?,18-,19+,20?,21?,22?,23?,24?,25?,26?,27?,28?,29?,30?,31?/m1/s1.
What are the key properties of (2R,3S,4R,5R)-10-[[6-[[3,5-dihydroxy-6-propan-2-yl-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methoxy]-3,4,5-trihydroxyoxan-2-yl]methoxy]decane-1,2,3,4,5-pentol?
(2R,3S,4R,5R)-10-[[6-[[3,5-dihydroxy-6-propan-2-yl-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methoxy]-3,4,5-trihydroxyoxan-2-yl]methoxy]decane-1,2,3,4,5-pentol has a molecular weight of 750.78 g/mol, XLogP of -6.85, 19 rotatable bonds, 14 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4R,5R)-10-[[6-[[3,5-dihydroxy-6-propan-2-yl-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methoxy]-3,4,5-trihydroxyoxan-2-yl]methoxy]decane-1,2,3,4,5-pentol is sourced from PubChem (CID 147829829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).