(1R,2R,3S,4S)-1-(1,1-dioxothian-2-yl)pentane-1,2,3,4-tetrol

C10H20O6S — CID 89491719

IUPAC(1R,2R,3S,4S)-1-(1,1-dioxothian-2-yl)pentane-1,2,3,4-tetrol
SMILESC[C@H](O)[C@H](O)[C@@H](O)[C@@H](O)C1CCCCS1(=O)=O
InChIInChI=1S/C10H20O6S/c1-6(11)8(12)10(14)9(13)7-4-2-3-5-17(7,15)16/h6-14H,2-5H2,1H3/t6-,7?,8-,9-,10+/m0/s1
InChIKeyZKZOWQSBKBCTHP-BOJOCVAMSA-N
MW268.33 g/mol
LogP-1.58
Rot. Bonds4

About (1R,2R,3S,4S)-1-(1,1-dioxothian-2-yl)pentane-1,2,3,4-tetrol

(1R,2R,3S,4S)-1-(1,1-dioxothian-2-yl)pentane-1,2,3,4-tetrol (PubChem CID 89491719) has the molecular formula C10H20O6S and a molecular weight of 268.33 g/mol. Its IUPAC name is (1R,2R,3S,4S)-1-(1,1-dioxothian-2-yl)pentane-1,2,3,4-tetrol.

Molecular Properties

Compound Name(1R,2R,3S,4S)-1-(1,1-dioxothian-2-yl)pentane-1,2,3,4-tetrol
PubChem CID89491719
Molecular FormulaC10H20O6S
Molecular Weight268.33 g/mol
Exact Mass268.10
IUPAC Name(1R,2R,3S,4S)-1-(1,1-dioxothian-2-yl)pentane-1,2,3,4-tetrol
SMILESC[C@H](O)[C@H](O)[C@@H](O)[C@@H](O)C1CCCCS1(=O)=O
InChIInChI=1S/C10H20O6S/c1-6(11)8(12)10(14)9(13)7-4-2-3-5-17(7,15)16/h6-14H,2-5H2,1H3/t6-,7?,8-,9-,10+/m0/s1
InChIKeyZKZOWQSBKBCTHP-BOJOCVAMSA-N
XLogP-1.58
TPSA115.06 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.33
LogP ≤ 5-1.58
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (1R,2R,3S,4S)-1-(1,1-dioxothian-2-yl)pentane-1,2,3,4-tetrol?
The IUPAC name of (1R,2R,3S,4S)-1-(1,1-dioxothian-2-yl)pentane-1,2,3,4-tetrol (CID 89491719) is (1R,2R,3S,4S)-1-(1,1-dioxothian-2-yl)pentane-1,2,3,4-tetrol.
What is the SMILES notation for (1R,2R,3S,4S)-1-(1,1-dioxothian-2-yl)pentane-1,2,3,4-tetrol?
The canonical SMILES for (1R,2R,3S,4S)-1-(1,1-dioxothian-2-yl)pentane-1,2,3,4-tetrol is C[C@H](O)[C@H](O)[C@@H](O)[C@@H](O)C1CCCCS1(=O)=O.
What is the InChIKey of (1R,2R,3S,4S)-1-(1,1-dioxothian-2-yl)pentane-1,2,3,4-tetrol?
The InChIKey is ZKZOWQSBKBCTHP-BOJOCVAMSA-N. The full InChI is InChI=1S/C10H20O6S/c1-6(11)8(12)10(14)9(13)7-4-2-3-5-17(7,15)16/h6-14H,2-5H2,1H3/t6-,7?,8-,9-,10+/m0/s1.
What are the key properties of (1R,2R,3S,4S)-1-(1,1-dioxothian-2-yl)pentane-1,2,3,4-tetrol?
(1R,2R,3S,4S)-1-(1,1-dioxothian-2-yl)pentane-1,2,3,4-tetrol has a molecular weight of 268.33 g/mol, XLogP of -1.58, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,3S,4S)-1-(1,1-dioxothian-2-yl)pentane-1,2,3,4-tetrol is sourced from PubChem (CID 89491719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).