(2R,3S,4R,5S)-2-[(2S,3R,4R,5R,6S)-2-[(2R,3S,4R,5S,6R)-6-[(2S,3R,4R,5S,6S)-2-[(2R,3S,4R,5S,6S)-4,5-dihydroxy-2-(hydroxymethyl)-6-prop-2-enoxyoxan-3-yl]oxy-5-hydroxy-6-methyl-3-[(2R,3S,4R,5S)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-4-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-6-methyloxan-3-yl]oxyoxane-3,4,5-triol — IUPAC name, SMILES, InChIKey & properties

Name: (2R,3S,4R,5S)-2-[(2S,3R,4R,5R,6S)-2-[(2R,3S,4R,5S,6R)-6-[(2S,3R,4R,5S,6S)-2-[(2R,3S,4R,5S,6S)-4,5-dihydroxy-2-(hydroxymethyl)-6-prop-2-enoxyoxan-3-yl]oxy-5-hydroxy-6-methyl-3-[(2R,3S,4R,5S)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-4-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-6-methyloxan-3-yl]oxyoxane-3,4,5-triol — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

About (2R,3S,4R,5S)-2-[(2S,3R,4R,5R,6S)-2-[(2R,3S,4R,5S,6R)-6-[(2S,3R,4R,5S,6S)-2-[(2R,3S,4R,5S,6S)-4,5-dihydroxy-2-(hydroxymethyl)-6-prop-2-enoxyoxan-3-yl]oxy-5-hydroxy-6-methyl-3-[(2R,3S,4R,5S)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-4-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-6-methyloxan-3-yl]oxyoxane-3,4,5-triol

(2R,3S,4R,5S)-2-[(2S,3R,4R,5R,6S)-2-[(2R,3S,4R,5S,6R)-6-[(2S,3R,4R,5S,6S)-2-[(2R,3S,4R,5S,6S)-4,5-dihydroxy-2-(hydroxymethyl)-6-prop-2-enoxyoxan-3-yl]oxy-5-hydroxy-6-methyl-3-[(2R,3S,4R,5S)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-4-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-6-methyloxan-3-yl]oxyoxane-3,4,5-triol (PubChem CID 11040296) has the molecular formula C37H62O27 and a molecular weight of 938.88 g/mol. Its IUPAC name is (2R,3S,4R,5S)-2-[(2S,3R,4R,5R,6S)-2-[(2R,3S,4R,5S,6R)-6-[(2S,3R,4R,5S,6S)-2-[(2R,3S,4R,5S,6S)-4,5-dihydroxy-2-(hydroxymethyl)-6-prop-2-enoxyoxan-3-yl]oxy-5-hydroxy-6-methyl-3-[(2R,3S,4R,5S)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-4-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-6-methyloxan-3-yl]oxyoxane-3,4,5-triol.

Molecular Properties

Compound Name	(2R,3S,4R,5S)-2-[(2S,3R,4R,5R,6S)-2-[(2R,3S,4R,5S,6R)-6-[(2S,3R,4R,5S,6S)-2-[(2R,3S,4R,5S,6S)-4,5-dihydroxy-2-(hydroxymethyl)-6-prop-2-enoxyoxan-3-yl]oxy-5-hydroxy-6-methyl-3-[(2R,3S,4R,5S)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-4-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-6-methyloxan-3-yl]oxyoxane-3,4,5-triol
PubChem CID	11040296
Molecular Formula	C37H62O27
Molecular Weight	938.88 g/mol
Exact Mass	938.35
IUPAC Name	(2R,3S,4R,5S)-2-[(2S,3R,4R,5R,6S)-2-[(2R,3S,4R,5S,6R)-6-[(2S,3R,4R,5S,6S)-2-[(2R,3S,4R,5S,6S)-4,5-dihydroxy-2-(hydroxymethyl)-6-prop-2-enoxyoxan-3-yl]oxy-5-hydroxy-6-methyl-3-[(2R,3S,4R,5S)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-4-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-6-methyloxan-3-yl]oxyoxane-3,4,5-triol
SMILES	C=CCO[C@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O[C@H]3O[C@H](CO)[C@@H](O[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O[C@H]4OC[C@H](O)[C@@H](O)[C@@H]4O)[C@H](O)[C@@H]3O)[C@H]2O[C@H]2OC[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H]1O
InChI	InChI=1S/C37H62O27/c1-4-5-53-32-25(51)21(47)27(14(6-38)58-32)61-37-31(64-34-24(50)19(45)13(41)9-55-34)29(17(43)11(3)57-37)62-35-26(52)22(48)28(15(7-39)59-35)60-36-30(20(46)16(42)10(2)56-36)63-33-23(49)18(44)12(40)8-54-33/h4,10-52H,1,5-9H2,2-3H3/t10-,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-/m0/s1
InChIKey	RFGSPYSVLLKTFN-LYKKDTOCSA-N
XLogP	-9.56
TPSA	414.21 Å²
H-Bond Donors	15
H-Bond Acceptors	27
Rotatable Bonds	15
Heavy Atoms	64
Complexity	—

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	938.88
LogP ≤ 5	-9.56
H-Bond Donors ≤ 5	15
H-Bond Acceptors ≤ 10	27

Computed Properties (RDKit)

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

Analyze (2R,3S,4R,5S)-2-[(2S,3R,4R,5R,6S)-2-[(2R,3S,4R,5S,6R)-6-[(2S,3R,4R,5S,6S)-2-[(2R,3S,4R,5S,6S)-4,5-dihydroxy-2-(hydroxymethyl)-6-prop-2-enoxyoxan-3-yl]oxy-5-hydroxy-6-methyl-3-[(2R,3S,4R,5S)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-4-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-6-methyloxan-3-yl]oxyoxane-3,4,5-triol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2R,3S,4R,5S)-2-[(2S,3R,4R,5R,6S)-2-[(2R,3S,4R,5S,6R)-6-[(2S,3R,4R,5S,6S)-2-[(2R,3S,4R,5S,6S)-4,5-dihydroxy-2-(hydroxymethyl)-6-prop-2-enoxyoxan-3-yl]oxy-5-hydroxy-6-methyl-3-[(2R,3S,4R,5S)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-4-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-6-methyloxan-3-yl]oxyoxane-3,4,5-triol?

The IUPAC name of (2R,3S,4R,5S)-2-[(2S,3R,4R,5R,6S)-2-[(2R,3S,4R,5S,6R)-6-[(2S,3R,4R,5S,6S)-2-[(2R,3S,4R,5S,6S)-4,5-dihydroxy-2-(hydroxymethyl)-6-prop-2-enoxyoxan-3-yl]oxy-5-hydroxy-6-methyl-3-[(2R,3S,4R,5S)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-4-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-6-methyloxan-3-yl]oxyoxane-3,4,5-triol (CID 11040296) is (2R,3S,4R,5S)-2-[(2S,3R,4R,5R,6S)-2-[(2R,3S,4R,5S,6R)-6-[(2S,3R,4R,5S,6S)-2-[(2R,3S,4R,5S,6S)-4,5-dihydroxy-2-(hydroxymethyl)-6-prop-2-enoxyoxan-3-yl]oxy-5-hydroxy-6-methyl-3-[(2R,3S,4R,5S)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-4-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-6-methyloxan-3-yl]oxyoxane-3,4,5-triol.

What is the SMILES notation for (2R,3S,4R,5S)-2-[(2S,3R,4R,5R,6S)-2-[(2R,3S,4R,5S,6R)-6-[(2S,3R,4R,5S,6S)-2-[(2R,3S,4R,5S,6S)-4,5-dihydroxy-2-(hydroxymethyl)-6-prop-2-enoxyoxan-3-yl]oxy-5-hydroxy-6-methyl-3-[(2R,3S,4R,5S)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-4-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-6-methyloxan-3-yl]oxyoxane-3,4,5-triol?

The canonical SMILES for (2R,3S,4R,5S)-2-[(2S,3R,4R,5R,6S)-2-[(2R,3S,4R,5S,6R)-6-[(2S,3R,4R,5S,6S)-2-[(2R,3S,4R,5S,6S)-4,5-dihydroxy-2-(hydroxymethyl)-6-prop-2-enoxyoxan-3-yl]oxy-5-hydroxy-6-methyl-3-[(2R,3S,4R,5S)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-4-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-6-methyloxan-3-yl]oxyoxane-3,4,5-triol is C=CCO[C@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O[C@H]3O[C@H](CO)[C@@H](O[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O[C@H]4OC[C@H](O)[C@@H](O)[C@@H]4O)[C@H](O)[C@@H]3O)[C@H]2O[C@H]2OC[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H]1O.

What is the InChIKey of (2R,3S,4R,5S)-2-[(2S,3R,4R,5R,6S)-2-[(2R,3S,4R,5S,6R)-6-[(2S,3R,4R,5S,6S)-2-[(2R,3S,4R,5S,6S)-4,5-dihydroxy-2-(hydroxymethyl)-6-prop-2-enoxyoxan-3-yl]oxy-5-hydroxy-6-methyl-3-[(2R,3S,4R,5S)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-4-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-6-methyloxan-3-yl]oxyoxane-3,4,5-triol?

The InChIKey is RFGSPYSVLLKTFN-LYKKDTOCSA-N. The full InChI is InChI=1S/C37H62O27/c1-4-5-53-32-25(51)21(47)27(14(6-38)58-32)61-37-31(64-34-24(50)19(45)13(41)9-55-34)29(17(43)11(3)57-37)62-35-26(52)22(48)28(15(7-39)59-35)60-36-30(20(46)16(42)10(2)56-36)63-33-23(49)18(44)12(40)8-54-33/h4,10-52H,1,5-9H2,2-3H3/t10-,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-/m0/s1.

What are the key properties of (2R,3S,4R,5S)-2-[(2S,3R,4R,5R,6S)-2-[(2R,3S,4R,5S,6R)-6-[(2S,3R,4R,5S,6S)-2-[(2R,3S,4R,5S,6S)-4,5-dihydroxy-2-(hydroxymethyl)-6-prop-2-enoxyoxan-3-yl]oxy-5-hydroxy-6-methyl-3-[(2R,3S,4R,5S)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-4-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-6-methyloxan-3-yl]oxyoxane-3,4,5-triol?

Where does this data come from?

All data for (2R,3S,4R,5S)-2-[(2S,3R,4R,5R,6S)-2-[(2R,3S,4R,5S,6R)-6-[(2S,3R,4R,5S,6S)-2-[(2R,3S,4R,5S,6S)-4,5-dihydroxy-2-(hydroxymethyl)-6-prop-2-enoxyoxan-3-yl]oxy-5-hydroxy-6-methyl-3-[(2R,3S,4R,5S)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-4-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-6-methyloxan-3-yl]oxyoxane-3,4,5-triol is sourced from PubChem (CID 11040296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).