(2S,3R,4S,5S,6S)-6-[[(2R,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]-hydroxymethyl]oxane-2,3,4,5-tetrol

C12H22O11 — CID 57147822

IUPAC(2S,3R,4S,5S,6S)-6-[[(2R,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]-hydroxymethyl]oxane-2,3,4,5-tetrol
SMILESOC[C@H]1O[C@@](CO)(C(O)[C@H]2O[C@H](O)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C12H22O11/c13-1-3-4(15)9(19)12(2-14,23-3)10(20)8-6(17)5(16)7(18)11(21)22-8/h3-11,13-21H,1-2H2/t3-,4-,5+,6+,7-,8+,9+,10?,11+,12-/m1/s1
InChIKeyBKVASFMKNQTDNW-XFYKVJIJSA-N
MW342.30 g/mol
LogP-6.01
Rot. Bonds4

About (2S,3R,4S,5S,6S)-6-[[(2R,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]-hydroxymethyl]oxane-2,3,4,5-tetrol

(2S,3R,4S,5S,6S)-6-[[(2R,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]-hydroxymethyl]oxane-2,3,4,5-tetrol (PubChem CID 57147822) has the molecular formula C12H22O11 and a molecular weight of 342.30 g/mol. Its IUPAC name is (2S,3R,4S,5S,6S)-6-[[(2R,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]-hydroxymethyl]oxane-2,3,4,5-tetrol.

Molecular Properties

Compound Name(2S,3R,4S,5S,6S)-6-[[(2R,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]-hydroxymethyl]oxane-2,3,4,5-tetrol
PubChem CID57147822
Molecular FormulaC12H22O11
Molecular Weight342.30 g/mol
Exact Mass342.12
IUPAC Name(2S,3R,4S,5S,6S)-6-[[(2R,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]-hydroxymethyl]oxane-2,3,4,5-tetrol
SMILESOC[C@H]1O[C@@](CO)(C(O)[C@H]2O[C@H](O)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C12H22O11/c13-1-3-4(15)9(19)12(2-14,23-3)10(20)8-6(17)5(16)7(18)11(21)22-8/h3-11,13-21H,1-2H2/t3-,4-,5+,6+,7-,8+,9+,10?,11+,12-/m1/s1
InChIKeyBKVASFMKNQTDNW-XFYKVJIJSA-N
XLogP-6.01
TPSA200.53 Ų
H-Bond Donors9
H-Bond Acceptors11
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500342.30
LogP ≤ 5-6.01
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1011

Analyze (2S,3R,4S,5S,6S)-6-[[(2R,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]-hydroxymethyl]oxane-2,3,4,5-tetrol with MolForge

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Launch Full Analysis

Related Compounds

(2S)-2-Butanol O-[b-D-Apiofuranosyl-(1->6)-b-D-glucopyranoside]
CID 131753087
Isopropyl apiosylglucoside
CID 131753154
beta-D-apiofuranosyl-(1->6)-D-glucose
CID 25200845
(2R,3S,4S,5R,6R)-2-[[(2R,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxymethyl]-6-(7-hydroxy-3,7-dimethyloctoxy)oxane-3,4,5-triol
CID 145963176
2-((6-O-(beta-D-apiofuranosyl)beta-D-glucopyranosyl)oxy)propane
CID 10316099
Urechitol B
CID 42640130
Okaspirodiol
CID 16086659
beta-D-apiofuranosyl-(1->6)-D-glucopyranose
CID 44602452
1,2,10-Trihydroxydihydro-trans-linalyl oxide 7-O-beta-D-glucopyranoside
CID 85225480
2,3-Butanediol apiosylglucoside
CID 85267368
5-Hydroxymethyl-7-isopropoxy-6-oxa-bicyclo[3.2.2]nonane-1,8,9-triol
CID 24752824
(2R,3R,4S,5S,6R)-2-[2-(1,4-dihydroxycyclohexyl)ethoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
CID 10958239

Frequently Asked Questions

What is the IUPAC name of (2S,3R,4S,5S,6S)-6-[[(2R,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]-hydroxymethyl]oxane-2,3,4,5-tetrol?
The IUPAC name of (2S,3R,4S,5S,6S)-6-[[(2R,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]-hydroxymethyl]oxane-2,3,4,5-tetrol (CID 57147822) is (2S,3R,4S,5S,6S)-6-[[(2R,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]-hydroxymethyl]oxane-2,3,4,5-tetrol.
What is the SMILES notation for (2S,3R,4S,5S,6S)-6-[[(2R,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]-hydroxymethyl]oxane-2,3,4,5-tetrol?
The canonical SMILES for (2S,3R,4S,5S,6S)-6-[[(2R,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]-hydroxymethyl]oxane-2,3,4,5-tetrol is OC[C@H]1O[C@@](CO)(C(O)[C@H]2O[C@H](O)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H](O)[C@@H]1O.
What is the InChIKey of (2S,3R,4S,5S,6S)-6-[[(2R,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]-hydroxymethyl]oxane-2,3,4,5-tetrol?
The InChIKey is BKVASFMKNQTDNW-XFYKVJIJSA-N. The full InChI is InChI=1S/C12H22O11/c13-1-3-4(15)9(19)12(2-14,23-3)10(20)8-6(17)5(16)7(18)11(21)22-8/h3-11,13-21H,1-2H2/t3-,4-,5+,6+,7-,8+,9+,10?,11+,12-/m1/s1.
What are the key properties of (2S,3R,4S,5S,6S)-6-[[(2R,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]-hydroxymethyl]oxane-2,3,4,5-tetrol?
(2S,3R,4S,5S,6S)-6-[[(2R,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]-hydroxymethyl]oxane-2,3,4,5-tetrol has a molecular weight of 342.30 g/mol, XLogP of -6.01, 4 rotatable bonds, 9 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,4S,5S,6S)-6-[[(2R,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]-hydroxymethyl]oxane-2,3,4,5-tetrol is sourced from PubChem (CID 57147822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).