(2S,4S,5R,6R)-6-[(1R,2R)-2,3-dihydroxy-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropyl]-2,4,5-trihydroxyoxane-2-carboxylic acid

C15H26O14 — CID 102275217

IUPAC(2S,4S,5R,6R)-6-[(1R,2R)-2,3-dihydroxy-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropyl]-2,4,5-trihydroxyoxane-2-carboxylic acid
SMILESO=C(O)[C@]1(O)C[C@H](O)[C@@H](O)[C@H]([C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)CO)O1
InChIInChI=1S/C15H26O14/c16-2-5(19)11(12-7(20)4(18)1-15(26,29-12)14(24)25)28-13-10(23)9(22)8(21)6(3-17)27-13/h4-13,16-23,26H,1-3H2,(H,24,25)/t4-,5+,6+,7+,8+,9-,10+,11+,12+,13-,15-/m0/s1
InChIKeyVNZWVHXHBVDHGF-QMTIVUOQSA-N
MW430.36 g/mol
LogP-6.19
Rot. Bonds7

About (2S,4S,5R,6R)-6-[(1R,2R)-2,3-dihydroxy-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropyl]-2,4,5-trihydroxyoxane-2-carboxylic acid

(2S,4S,5R,6R)-6-[(1R,2R)-2,3-dihydroxy-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropyl]-2,4,5-trihydroxyoxane-2-carboxylic acid (PubChem CID 102275217) has the molecular formula C15H26O14 and a molecular weight of 430.36 g/mol. Its IUPAC name is (2S,4S,5R,6R)-6-[(1R,2R)-2,3-dihydroxy-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropyl]-2,4,5-trihydroxyoxane-2-carboxylic acid.

Molecular Properties

Compound Name(2S,4S,5R,6R)-6-[(1R,2R)-2,3-dihydroxy-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropyl]-2,4,5-trihydroxyoxane-2-carboxylic acid
PubChem CID102275217
Molecular FormulaC15H26O14
Molecular Weight430.36 g/mol
Exact Mass430.13
IUPAC Name(2S,4S,5R,6R)-6-[(1R,2R)-2,3-dihydroxy-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropyl]-2,4,5-trihydroxyoxane-2-carboxylic acid
SMILESO=C(O)[C@]1(O)C[C@H](O)[C@@H](O)[C@H]([C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)CO)O1
InChIInChI=1S/C15H26O14/c16-2-5(19)11(12-7(20)4(18)1-15(26,29-12)14(24)25)28-13-10(23)9(22)8(21)6(3-17)27-13/h4-13,16-23,26H,1-3H2,(H,24,25)/t4-,5+,6+,7+,8+,9-,10+,11+,12+,13-,15-/m0/s1
InChIKeyVNZWVHXHBVDHGF-QMTIVUOQSA-N
XLogP-6.19
TPSA247.06 Ų
H-Bond Donors10
H-Bond Acceptors13
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500430.36
LogP ≤ 5-6.19
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1013

Analyze (2S,4S,5R,6R)-6-[(1R,2R)-2,3-dihydroxy-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropyl]-2,4,5-trihydroxyoxane-2-carboxylic acid with MolForge

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Related Compounds

(2S,4S,5R,6R)-2,4-dihydroxy-5-[[2-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyacetyl]amino]-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid
CID 102275227
(2R,4S,5R,6R)-5-acetamido-6-[(1S,2R)-2-[(2R,3R,4S,5S,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-1,3-dihydroxypropyl]-2,4-dihydroxyoxane-2-carboxylic acid
CID 102145406
(2R,4R)-6-(1,2-dihydroxyethyl)-2,4,5-trihydroxyoxane-2-carboxylic acid
CID 174067243
(4R,5S,6R)-6-[(1S)-1,2-dihydroxyethyl]-2,4,5-trihydroxyoxane-2-carboxylic acid
CID 155539835
(2R,4S,5R,6S)-6-[(1R,2R)-1,2-dihydroxy-3-[(2R,3R,4R,5R)-4-hydroxy-5-(hydroxymethyl)-3-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxolan-2-yl]oxypropyl]-2,4-dihydroxy-5-methoxyoxane-2-carboxylic acid
CID 171123032
(2R,4R,5R,6R)-6-[(1R)-1,2-dihydroxyethyl]-5-[(2R,3R,4R,5R,6R)-6-[[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxymethyl]-3-hydroxy-4,5-bis[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]oxan-2-yl]oxy-2,4-dihydroxyoxane-2-carboxylic acid
CID 91852085
(4S,5R,6R)-5-acetamido-2,4-dihydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid;N-[(3R,4R,5R,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
CID 162068376
(2R,4R,5R)-5-[(2S,4S,5S)-4-[(2S,4R,5R)-5-[(2S,4S,5R)-3-acetyloxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[(1S)-1,2-dihydroxyethyl]-2,4-dihydroxyoxane-2-carboxylic acid
CID 59520608
(4S,5R,6R)-5-acetamido-4-[(2R,3R,4R,5S,6R)-3-acetamido-5-[(2S,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid
CID 91861728
(2R,4S,5R,6R)-6-[(1R,2R)-2-[(2R,4S,5R,6R)-2-carboxy-4,5-dihydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxan-2-yl]oxy-1,3-dihydroxypropyl]-2,4,5-trihydroxyoxane-2-carboxylic acid
CID 91846187
(2R,3R,4S,5R,6R)-2-(hydroxymethyl)-6-[(2S,3S)-1,3,4-trihydroxybutan-2-yl]oxyoxane-3,4,5-triol
CID 162854899
(2S,4R)-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentane-1,2,4,5-tetrol
CID 121434245

Frequently Asked Questions

What is the IUPAC name of (2S,4S,5R,6R)-6-[(1R,2R)-2,3-dihydroxy-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropyl]-2,4,5-trihydroxyoxane-2-carboxylic acid?
The IUPAC name of (2S,4S,5R,6R)-6-[(1R,2R)-2,3-dihydroxy-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropyl]-2,4,5-trihydroxyoxane-2-carboxylic acid (CID 102275217) is (2S,4S,5R,6R)-6-[(1R,2R)-2,3-dihydroxy-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropyl]-2,4,5-trihydroxyoxane-2-carboxylic acid.
What is the SMILES notation for (2S,4S,5R,6R)-6-[(1R,2R)-2,3-dihydroxy-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropyl]-2,4,5-trihydroxyoxane-2-carboxylic acid?
The canonical SMILES for (2S,4S,5R,6R)-6-[(1R,2R)-2,3-dihydroxy-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropyl]-2,4,5-trihydroxyoxane-2-carboxylic acid is O=C(O)[C@]1(O)C[C@H](O)[C@@H](O)[C@H]([C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)CO)O1.
What is the InChIKey of (2S,4S,5R,6R)-6-[(1R,2R)-2,3-dihydroxy-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropyl]-2,4,5-trihydroxyoxane-2-carboxylic acid?
The InChIKey is VNZWVHXHBVDHGF-QMTIVUOQSA-N. The full InChI is InChI=1S/C15H26O14/c16-2-5(19)11(12-7(20)4(18)1-15(26,29-12)14(24)25)28-13-10(23)9(22)8(21)6(3-17)27-13/h4-13,16-23,26H,1-3H2,(H,24,25)/t4-,5+,6+,7+,8+,9-,10+,11+,12+,13-,15-/m0/s1.
What are the key properties of (2S,4S,5R,6R)-6-[(1R,2R)-2,3-dihydroxy-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropyl]-2,4,5-trihydroxyoxane-2-carboxylic acid?
(2S,4S,5R,6R)-6-[(1R,2R)-2,3-dihydroxy-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropyl]-2,4,5-trihydroxyoxane-2-carboxylic acid has a molecular weight of 430.36 g/mol, XLogP of -6.19, 7 rotatable bonds, 10 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S,5R,6R)-6-[(1R,2R)-2,3-dihydroxy-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropyl]-2,4,5-trihydroxyoxane-2-carboxylic acid is sourced from PubChem (CID 102275217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).