sodium (3R,4R)-4-hydroxy-6-[(3R,4R)-6-hydroxy-2,4,5-trimethyloxan-3-yl]oxy-5-methyl-3-[(4S)-3,4,5,6-tetramethyloxan-2-yl]oxyoxane-2-carboxylate

C24H41NaO9 — CID 59025344

IUPACsodium (3R,4R)-4-hydroxy-6-[(3R,4R)-6-hydroxy-2,4,5-trimethyloxan-3-yl]oxy-5-methyl-3-[(4S)-3,4,5,6-tetramethyloxan-2-yl]oxyoxane-2-carboxylate
SMILESCC1OC(O[C@H]2C(C(=O)[O-])OC(O[C@H]3C(C)OC(O)C(C)[C@H]3C)C(C)[C@H]2O)C(C)[C@@H](C)C1C.[Na+]
InChIInChI=1S/C24H42O9.Na/c1-9-10(2)15(7)30-23(13(9)5)32-19-17(25)14(6)24(33-20(19)21(26)27)31-18-11(3)12(4)22(28)29-16(18)8;/h9-20,22-25,28H,1-8H3,(H,26,27);/q;+1/p-1/t9-,10?,11+,12?,13?,14?,15?,16?,17+,18+,19+,20?,22?,23?,24?;/m0./s1
InChIKeyGVCGIJVQSXSFQA-DYNUBABUSA-M
MW496.57 g/mol
LogP-2.11
Rot. Bonds5

About sodium (3R,4R)-4-hydroxy-6-[(3R,4R)-6-hydroxy-2,4,5-trimethyloxan-3-yl]oxy-5-methyl-3-[(4S)-3,4,5,6-tetramethyloxan-2-yl]oxyoxane-2-carboxylate

sodium (3R,4R)-4-hydroxy-6-[(3R,4R)-6-hydroxy-2,4,5-trimethyloxan-3-yl]oxy-5-methyl-3-[(4S)-3,4,5,6-tetramethyloxan-2-yl]oxyoxane-2-carboxylate (PubChem CID 59025344) has the molecular formula C24H41NaO9 and a molecular weight of 496.57 g/mol. Its IUPAC name is sodium (3R,4R)-4-hydroxy-6-[(3R,4R)-6-hydroxy-2,4,5-trimethyloxan-3-yl]oxy-5-methyl-3-[(4S)-3,4,5,6-tetramethyloxan-2-yl]oxyoxane-2-carboxylate.

Molecular Properties

Compound Namesodium (3R,4R)-4-hydroxy-6-[(3R,4R)-6-hydroxy-2,4,5-trimethyloxan-3-yl]oxy-5-methyl-3-[(4S)-3,4,5,6-tetramethyloxan-2-yl]oxyoxane-2-carboxylate
PubChem CID59025344
Molecular FormulaC24H41NaO9
Molecular Weight496.57 g/mol
Exact Mass496.26
IUPAC Namesodium (3R,4R)-4-hydroxy-6-[(3R,4R)-6-hydroxy-2,4,5-trimethyloxan-3-yl]oxy-5-methyl-3-[(4S)-3,4,5,6-tetramethyloxan-2-yl]oxyoxane-2-carboxylate
SMILESCC1OC(O[C@H]2C(C(=O)[O-])OC(O[C@H]3C(C)OC(O)C(C)[C@H]3C)C(C)[C@H]2O)C(C)[C@@H](C)C1C.[Na+]
InChIInChI=1S/C24H42O9.Na/c1-9-10(2)15(7)30-23(13(9)5)32-19-17(25)14(6)24(33-20(19)21(26)27)31-18-11(3)12(4)22(28)29-16(18)8;/h9-20,22-25,28H,1-8H3,(H,26,27);/q;+1/p-1/t9-,10?,11+,12?,13?,14?,15?,16?,17+,18+,19+,20?,22?,23?,24?;/m0./s1
InChIKeyGVCGIJVQSXSFQA-DYNUBABUSA-M
XLogP-2.11
TPSA126.74 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.57
LogP ≤ 5-2.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze sodium (3R,4R)-4-hydroxy-6-[(3R,4R)-6-hydroxy-2,4,5-trimethyloxan-3-yl]oxy-5-methyl-3-[(4S)-3,4,5,6-tetramethyloxan-2-yl]oxyoxane-2-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

Dactylorhin C
CID 10521921
alpha-D-GlcA4Me-(1->2)-beta-D-Xyl-(1->4)-beta-D-Xyl
CID 176454194
GlyTouCan:G95802QW
CID 78382737
Dricoid
CID 131752735
sodium (2S)-3-cyclohexyl-2-[(2S,3S,5S,6R)-3,5-dihydroxy-2-(hydroxymethyl)-6-[(2S,3S,4R)-2-(hydroxymethyl)-3-[(2S,3S,4S,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-4-yl]oxyoxan-4-yl]oxypropanoate
CID 70689898
sodium (2S)-3-cyclohexyl-2-[(2S,3S,4S,5S,6R)-3,5-dihydroxy-2-(hydroxymethyl)-6-[(2S,3S,4R)-2-(hydroxymethyl)-3-[(2S,3S,4S,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-4-yl]oxyoxan-4-yl]oxypropanoate
CID 90664193
PATULIN_met001
CID 171115134
GlyTouCan:G84784RW
CID 139291888
2-O-(3-O-alpha-D-Glucopyranuronosyl-alpha-L-rhamnopyranosyl)-alpha-L-rhamnopyranose
CID 21575403
Kribelloside A
CID 139589419
Kribelloside C
CID 139589421
(2S,3S,4R,5R,6R)-6-[(2R,3S,4R,5R,6S)-4,5-dihydroxy-2-(hydroxymethyl)-6-[(2S,3S,4S,5S)-2,4,5,6-tetrahydroxyhexan-3-yl]oxyoxan-3-yl]oxy-4,5-dihydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2-carboxylic acid
CID 162842789

Frequently Asked Questions

What is the IUPAC name of sodium (3R,4R)-4-hydroxy-6-[(3R,4R)-6-hydroxy-2,4,5-trimethyloxan-3-yl]oxy-5-methyl-3-[(4S)-3,4,5,6-tetramethyloxan-2-yl]oxyoxane-2-carboxylate?
The IUPAC name of sodium (3R,4R)-4-hydroxy-6-[(3R,4R)-6-hydroxy-2,4,5-trimethyloxan-3-yl]oxy-5-methyl-3-[(4S)-3,4,5,6-tetramethyloxan-2-yl]oxyoxane-2-carboxylate (CID 59025344) is sodium (3R,4R)-4-hydroxy-6-[(3R,4R)-6-hydroxy-2,4,5-trimethyloxan-3-yl]oxy-5-methyl-3-[(4S)-3,4,5,6-tetramethyloxan-2-yl]oxyoxane-2-carboxylate.
What is the SMILES notation for sodium (3R,4R)-4-hydroxy-6-[(3R,4R)-6-hydroxy-2,4,5-trimethyloxan-3-yl]oxy-5-methyl-3-[(4S)-3,4,5,6-tetramethyloxan-2-yl]oxyoxane-2-carboxylate?
The canonical SMILES for sodium (3R,4R)-4-hydroxy-6-[(3R,4R)-6-hydroxy-2,4,5-trimethyloxan-3-yl]oxy-5-methyl-3-[(4S)-3,4,5,6-tetramethyloxan-2-yl]oxyoxane-2-carboxylate is CC1OC(O[C@H]2C(C(=O)[O-])OC(O[C@H]3C(C)OC(O)C(C)[C@H]3C)C(C)[C@H]2O)C(C)[C@@H](C)C1C.[Na+].
What is the InChIKey of sodium (3R,4R)-4-hydroxy-6-[(3R,4R)-6-hydroxy-2,4,5-trimethyloxan-3-yl]oxy-5-methyl-3-[(4S)-3,4,5,6-tetramethyloxan-2-yl]oxyoxane-2-carboxylate?
The InChIKey is GVCGIJVQSXSFQA-DYNUBABUSA-M. The full InChI is InChI=1S/C24H42O9.Na/c1-9-10(2)15(7)30-23(13(9)5)32-19-17(25)14(6)24(33-20(19)21(26)27)31-18-11(3)12(4)22(28)29-16(18)8;/h9-20,22-25,28H,1-8H3,(H,26,27);/q;+1/p-1/t9-,10?,11+,12?,13?,14?,15?,16?,17+,18+,19+,20?,22?,23?,24?;/m0./s1.
What are the key properties of sodium (3R,4R)-4-hydroxy-6-[(3R,4R)-6-hydroxy-2,4,5-trimethyloxan-3-yl]oxy-5-methyl-3-[(4S)-3,4,5,6-tetramethyloxan-2-yl]oxyoxane-2-carboxylate?
sodium (3R,4R)-4-hydroxy-6-[(3R,4R)-6-hydroxy-2,4,5-trimethyloxan-3-yl]oxy-5-methyl-3-[(4S)-3,4,5,6-tetramethyloxan-2-yl]oxyoxane-2-carboxylate has a molecular weight of 496.57 g/mol, XLogP of -2.11, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for sodium (3R,4R)-4-hydroxy-6-[(3R,4R)-6-hydroxy-2,4,5-trimethyloxan-3-yl]oxy-5-methyl-3-[(4S)-3,4,5,6-tetramethyloxan-2-yl]oxyoxane-2-carboxylate is sourced from PubChem (CID 59025344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).